TY  - JOUR
AU  - Marković, Sanja B.
AU  - Maciejewska, Natalia
AU  - Olszewski, Mateusz
AU  - Višnjevac, Aleksandar
AU  - Puerta, Adrián
AU  - Padrón, José M.
AU  - Novaković, Irena
AU  - Kojić, Snežana
AU  - Fernandes, Henrique S.
AU  - Sousa, Sérgio F.
AU  - Ramotowska, Sandra
AU  - Chylewska, Agnieszka
AU  - Makowski, Mariusz
AU  - Todorović, Tamara R.
AU  - Filipović, Nenad R.
PY  - 2022
UR  - https://www.sciencedirect.com/science/article/pii/S0223523422003518
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/6098
AB  - The biological activity of Cd compounds has been investigated scarce since Cd has been recognized as a human carcinogen. However, the toxicity of cadmium is comparable to the toxicity of noble metals such as Pt and Pd. The paradigm of metal toxicity has been challenged suggesting that metal toxicity is not a constant property, yet it depends on many factors like the presence of appropriate ligands. Studies on anticancer activity of cadmium complexes showed that the complexation of various ligands resulted in complexes that showed better activities than approved drugs. In the present study, cadmium complexes with biologically potent thiazolyl/selenazoyl-hydrazone ligands have been prepared, and tested for their activity against different types of tumor cell models. The complexation of ligands with Cd(II) resulted in a synergistic effect. The antiproliferative activity study revealed that all complexes are more active compared to 5-fluorouracil and cisplatin. The mechanism of tumor cell growth inhibition reveal that selenium-based compounds induce cell death in T-47D (gland carcinoma) cells through apoptosis via caspase-3/7 activation. Additionally, their pro-apoptotic effect was stronger compared to etoposide and cisplatin. Nuclease activity, detected by gel electrophoresis, may be the possible mechanism of anticancer action of investigated complexes.
T2  - European Journal of Medicinal Chemistry
T2  - European Journal of Medicinal ChemistryEuropean Journal of Medicinal Chemistry
T1  - Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters
EP  - 
SP  - 114449
VL  - 238
DO  - 10.1016/j.ejmech.2022.114449
ER  - 

@article{
author = "Marković, Sanja B. and Maciejewska, Natalia and Olszewski, Mateusz and Višnjevac, Aleksandar and Puerta, Adrián and Padrón, José M. and Novaković, Irena and Kojić, Snežana and Fernandes, Henrique S. and Sousa, Sérgio F. and Ramotowska, Sandra and Chylewska, Agnieszka and Makowski, Mariusz and Todorović, Tamara R. and Filipović, Nenad R.",
year = "2022",
abstract = "The biological activity of Cd compounds has been investigated scarce since Cd has been recognized as a human carcinogen. However, the toxicity of cadmium is comparable to the toxicity of noble metals such as Pt and Pd. The paradigm of metal toxicity has been challenged suggesting that metal toxicity is not a constant property, yet it depends on many factors like the presence of appropriate ligands. Studies on anticancer activity of cadmium complexes showed that the complexation of various ligands resulted in complexes that showed better activities than approved drugs. In the present study, cadmium complexes with biologically potent thiazolyl/selenazoyl-hydrazone ligands have been prepared, and tested for their activity against different types of tumor cell models. The complexation of ligands with Cd(II) resulted in a synergistic effect. The antiproliferative activity study revealed that all complexes are more active compared to 5-fluorouracil and cisplatin. The mechanism of tumor cell growth inhibition reveal that selenium-based compounds induce cell death in T-47D (gland carcinoma) cells through apoptosis via caspase-3/7 activation. Additionally, their pro-apoptotic effect was stronger compared to etoposide and cisplatin. Nuclease activity, detected by gel electrophoresis, may be the possible mechanism of anticancer action of investigated complexes.",
journal = "European Journal of Medicinal Chemistry, European Journal of Medicinal ChemistryEuropean Journal of Medicinal Chemistry",
title = "Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters",
pages = "-114449",
volume = "238",
doi = "10.1016/j.ejmech.2022.114449"
}

Marković, S. B., Maciejewska, N., Olszewski, M., Višnjevac, A., Puerta, A., Padrón, J. M., Novaković, I., Kojić, S., Fernandes, H. S., Sousa, S. F., Ramotowska, S., Chylewska, A., Makowski, M., Todorović, T. R.,& Filipović, N. R.. (2022). Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters. in European Journal of Medicinal Chemistry, 238, 114449-.
https://doi.org/10.1016/j.ejmech.2022.114449

Marković SB, Maciejewska N, Olszewski M, Višnjevac A, Puerta A, Padrón JM, Novaković I, Kojić S, Fernandes HS, Sousa SF, Ramotowska S, Chylewska A, Makowski M, Todorović TR, Filipović NR. Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters. in European Journal of Medicinal Chemistry. 2022;238:114449-.
doi:10.1016/j.ejmech.2022.114449 .

Marković, Sanja B., Maciejewska, Natalia, Olszewski, Mateusz, Višnjevac, Aleksandar, Puerta, Adrián, Padrón, José M., Novaković, Irena, Kojić, Snežana, Fernandes, Henrique S., Sousa, Sérgio F., Ramotowska, Sandra, Chylewska, Agnieszka, Makowski, Mariusz, Todorović, Tamara R., Filipović, Nenad R., "Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters" in European Journal of Medicinal Chemistry, 238 (2022):114449-,
https://doi.org/10.1016/j.ejmech.2022.114449 . .

TY  - JOUR
AU  - Araškov, Jovana B.
AU  - Višnjevac, Aleksandar
AU  - Popović, Jasminka
AU  - Blagojević, Vladimir
AU  - Fernandes, Henrique S.
AU  - Sousa, Sérgio F.
AU  - Novaković, Irena
AU  - Padrón, José M.
AU  - Holló, Berta Barta
AU  - Monge, Miguel
AU  - Rodríguez-Castillo, María
AU  - López-de-Luzuriaga, José M.
AU  - Filipović, Nenad R.
AU  - Todorović, Tamara R.
PY  - 2022
UR  - https://pubs.rsc.org/en/content/articlelanding/2022/ce/d2ce00443g
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/6118
AB  - Earth-abundant, cheap and non-toxic zinc-based coordination compounds are drawing research attention as promising candidates for various applications, such as photoluminescent materials and anticancer agents. In this paper we report six zinc complexes (1–3-NO3 and 1–3-Cl) with pyridyl-based thiazolyl–hydrazone ligands, which differ in the nature of substituents at the ligands' periphery, anion type, and geometry around the metal ion. The complexes were characterized by single-crystal and powder X-ray diffraction analysis, as well as IR and NMR spectroscopy. The symmetrical complexes 2-Cl and 3-Cl, where zinc atoms are located at a two-fold axis, do not exhibit photophysical properties, unlike their asymmetrical analogs 2-NO3 and 3-NO3 with the same complex cation. Asymmetrical pentacoordinated 1-Cl and hexacoordinated 1-NO3 complexes exhibit photophysical properties. An admixture of allowed intra-ligand (1IL) and chloro (X)-to-ligand charge-transfer (1XLCT) electronic transitions is responsible for the fluorescence of the 1-Cl complex. The origin of the emission of the 1-NO3 complex is ascribed to an admixture of 3IL and ligand-to-ligand charge-transfer (3LLCT) forbidden electronic transitions, while for 3-NO3 most electronic excitations are of LLCT character. The thermal stability of the complexes is in accord with the strength of respective intermolecular interactions. The antiproliferative activity of the complexes was in the nanomolar range on some of the investigated cancer cell lines. Contrary to the increase of antiproliferative activity of the complexes in comparison to the free ligands in cancer cell lines, an acute toxicity determined in the brine shrimp assay follows the opposite trend. The overall results suggest that Zn(II) thiazoyl–hydrazone complexes have considerable potential as multifunctional materials.
T2  - CrystEngComm
T2  - CrystEngCommCrystEngComm
T1  - Zn(II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity
DO  - 10.1039/D2CE00443G
ER  - 

@article{
author = "Araškov, Jovana B. and Višnjevac, Aleksandar and Popović, Jasminka and Blagojević, Vladimir and Fernandes, Henrique S. and Sousa, Sérgio F. and Novaković, Irena and Padrón, José M. and Holló, Berta Barta and Monge, Miguel and Rodríguez-Castillo, María and López-de-Luzuriaga, José M. and Filipović, Nenad R. and Todorović, Tamara R.",
year = "2022",
abstract = "Earth-abundant, cheap and non-toxic zinc-based coordination compounds are drawing research attention as promising candidates for various applications, such as photoluminescent materials and anticancer agents. In this paper we report six zinc complexes (1–3-NO3 and 1–3-Cl) with pyridyl-based thiazolyl–hydrazone ligands, which differ in the nature of substituents at the ligands' periphery, anion type, and geometry around the metal ion. The complexes were characterized by single-crystal and powder X-ray diffraction analysis, as well as IR and NMR spectroscopy. The symmetrical complexes 2-Cl and 3-Cl, where zinc atoms are located at a two-fold axis, do not exhibit photophysical properties, unlike their asymmetrical analogs 2-NO3 and 3-NO3 with the same complex cation. Asymmetrical pentacoordinated 1-Cl and hexacoordinated 1-NO3 complexes exhibit photophysical properties. An admixture of allowed intra-ligand (1IL) and chloro (X)-to-ligand charge-transfer (1XLCT) electronic transitions is responsible for the fluorescence of the 1-Cl complex. The origin of the emission of the 1-NO3 complex is ascribed to an admixture of 3IL and ligand-to-ligand charge-transfer (3LLCT) forbidden electronic transitions, while for 3-NO3 most electronic excitations are of LLCT character. The thermal stability of the complexes is in accord with the strength of respective intermolecular interactions. The antiproliferative activity of the complexes was in the nanomolar range on some of the investigated cancer cell lines. Contrary to the increase of antiproliferative activity of the complexes in comparison to the free ligands in cancer cell lines, an acute toxicity determined in the brine shrimp assay follows the opposite trend. The overall results suggest that Zn(II) thiazoyl–hydrazone complexes have considerable potential as multifunctional materials.",
journal = "CrystEngComm, CrystEngCommCrystEngComm",
title = "Zn(II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity",
doi = "10.1039/D2CE00443G"
}

Araškov, J. B., Višnjevac, A., Popović, J., Blagojević, V., Fernandes, H. S., Sousa, S. F., Novaković, I., Padrón, J. M., Holló, B. B., Monge, M., Rodríguez-Castillo, M., López-de-Luzuriaga, J. M., Filipović, N. R.,& Todorović, T. R.. (2022). Zn(II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity. in CrystEngComm.
https://doi.org/10.1039/D2CE00443G

Araškov JB, Višnjevac A, Popović J, Blagojević V, Fernandes HS, Sousa SF, Novaković I, Padrón JM, Holló BB, Monge M, Rodríguez-Castillo M, López-de-Luzuriaga JM, Filipović NR, Todorović TR. Zn(II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity. in CrystEngComm. 2022;.
doi:10.1039/D2CE00443G .

Araškov, Jovana B., Višnjevac, Aleksandar, Popović, Jasminka, Blagojević, Vladimir, Fernandes, Henrique S., Sousa, Sérgio F., Novaković, Irena, Padrón, José M., Holló, Berta Barta, Monge, Miguel, Rodríguez-Castillo, María, López-de-Luzuriaga, José M., Filipović, Nenad R., Todorović, Tamara R., "Zn(II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity" in CrystEngComm (2022),
https://doi.org/10.1039/D2CE00443G . .

TY  - JOUR
AU  - Kokanov, Sanja B.
AU  - Filipović, Nenad R.
AU  - Višnjevac, Aleksandar
AU  - Nikolić, Milan
AU  - Novaković, Irena
AU  - Janjić, Goran
AU  - Holló, Berta Barta
AU  - Ramotowska, Sandra
AU  - Nowicka, Paulina
AU  - Makowski, Mariusz
AU  - Uğuz, Özlem
AU  - Koca, Atıf
AU  - Todorović, Tamara R.
PY  - 2022
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/6221
AB  - Interest in Cd complexes has been growing in recent years. Cd complexes are considered a potential solution in the search for novel antibiotics that can fight antimicrobial resistance. In addition, Cd complexes draw attention to material chemistry. The main objective of this work was to prepare the first Cd(II) complexes with anionic forms of pyridine-based thiazolyl hydrazone (THs) ligands HLS2 [(E)-4-(4-methoxyphenyl)-2-(2-[pyridine-2-ylmethylene]hydrazinyl)thiazole] and HLS3 [(E)-2-(2-[pyridine-2-ylmethylene]hydrazinyl)-4-(p-tolyl)thiazole] and perform their structural and spectroscopic characterization, as well as stability in solution and upon heating. Studies related to their biological activities and possible electrochromic applications are also being conducted. Complexes [Cd(HLS2)2] (1) and [Cd(HLS3)2] (2) have been characterized by a single-crystal X-ray diffraction and computational analysis of intermolecular interactions responsible for their solid-state structures was performed. Thermal stability of 1 and 2 in the solid-state was analyzed by TGA/MS, where as their solution stability was determined by the spectrophotometric titration method. Electrochemical and in situ UV–Vis spectroelectrochemical analyses of 1 and 2 were carried out to determine redox mechanisms and the influence of the substituents and electrolytes on their redox responses. The antioxidant capacity of both complexes was tested in antioxidant assays, while their antimicrobial activity was tested against five Gram-positive and four Gram-negative bacteria, as well as against three fungi. The obtained results indicate their potent antioxidant capacity. The antimicrobial activity of investigated compounds on almost all tested bacterial strains was stronger than that of the standard antibiotic erythromycin. The results of docking studies indicate that the minor groove DNA is the possible biological target of 1 and 2. © 2022 John Wiley & Sons Ltd.
T2  - Applied Organometallic Chemistry
T2  - Applied Organometallic Chemistry
T1  - A detailed experimental and computational study of Cd complexes with pyridyl-based thiazolyl hydrazones
DO  - 10.1002/aoc.6942
ER  - 

@article{
author = "Kokanov, Sanja B. and Filipović, Nenad R. and Višnjevac, Aleksandar and Nikolić, Milan and Novaković, Irena and Janjić, Goran and Holló, Berta Barta and Ramotowska, Sandra and Nowicka, Paulina and Makowski, Mariusz and Uğuz, Özlem and Koca, Atıf and Todorović, Tamara R.",
year = "2022",
abstract = "Interest in Cd complexes has been growing in recent years. Cd complexes are considered a potential solution in the search for novel antibiotics that can fight antimicrobial resistance. In addition, Cd complexes draw attention to material chemistry. The main objective of this work was to prepare the first Cd(II) complexes with anionic forms of pyridine-based thiazolyl hydrazone (THs) ligands HLS2 [(E)-4-(4-methoxyphenyl)-2-(2-[pyridine-2-ylmethylene]hydrazinyl)thiazole] and HLS3 [(E)-2-(2-[pyridine-2-ylmethylene]hydrazinyl)-4-(p-tolyl)thiazole] and perform their structural and spectroscopic characterization, as well as stability in solution and upon heating. Studies related to their biological activities and possible electrochromic applications are also being conducted. Complexes [Cd(HLS2)2] (1) and [Cd(HLS3)2] (2) have been characterized by a single-crystal X-ray diffraction and computational analysis of intermolecular interactions responsible for their solid-state structures was performed. Thermal stability of 1 and 2 in the solid-state was analyzed by TGA/MS, where as their solution stability was determined by the spectrophotometric titration method. Electrochemical and in situ UV–Vis spectroelectrochemical analyses of 1 and 2 were carried out to determine redox mechanisms and the influence of the substituents and electrolytes on their redox responses. The antioxidant capacity of both complexes was tested in antioxidant assays, while their antimicrobial activity was tested against five Gram-positive and four Gram-negative bacteria, as well as against three fungi. The obtained results indicate their potent antioxidant capacity. The antimicrobial activity of investigated compounds on almost all tested bacterial strains was stronger than that of the standard antibiotic erythromycin. The results of docking studies indicate that the minor groove DNA is the possible biological target of 1 and 2. © 2022 John Wiley & Sons Ltd.",
journal = "Applied Organometallic Chemistry, Applied Organometallic Chemistry",
title = "A detailed experimental and computational study of Cd complexes with pyridyl-based thiazolyl hydrazones",
doi = "10.1002/aoc.6942"
}

Kokanov, S. B., Filipović, N. R., Višnjevac, A., Nikolić, M., Novaković, I., Janjić, G., Holló, B. B., Ramotowska, S., Nowicka, P., Makowski, M., Uğuz, Ö., Koca, A.,& Todorović, T. R.. (2022). A detailed experimental and computational study of Cd complexes with pyridyl-based thiazolyl hydrazones. in Applied Organometallic Chemistry.
https://doi.org/10.1002/aoc.6942

Kokanov SB, Filipović NR, Višnjevac A, Nikolić M, Novaković I, Janjić G, Holló BB, Ramotowska S, Nowicka P, Makowski M, Uğuz Ö, Koca A, Todorović TR. A detailed experimental and computational study of Cd complexes with pyridyl-based thiazolyl hydrazones. in Applied Organometallic Chemistry. 2022;.
doi:10.1002/aoc.6942 .

Kokanov, Sanja B., Filipović, Nenad R., Višnjevac, Aleksandar, Nikolić, Milan, Novaković, Irena, Janjić, Goran, Holló, Berta Barta, Ramotowska, Sandra, Nowicka, Paulina, Makowski, Mariusz, Uğuz, Özlem, Koca, Atıf, Todorović, Tamara R., "A detailed experimental and computational study of Cd complexes with pyridyl-based thiazolyl hydrazones" in Applied Organometallic Chemistry (2022),
https://doi.org/10.1002/aoc.6942 . .

TY  - JOUR
AU  - Mijin, Nemanja D.
AU  - Milošević, Jelica
AU  - Filipović, Nenad R.
AU  - Mitić, Dragana
AU  - Anđelković, Katarina
AU  - Polović, Natalija Đ.
AU  - Todorović, Tamara R.
PY  - 2022
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/6237
AB  - Previously, the cytotoxic actions of five Pd(II) complexes with bidentate N-heteroaromatic chelators (complexes 1–5) on a palette of several cancer cell lines were investigated. However, the results of the cytotoxic activity did not correlate with the hydrophobic character of the complexes. To gain further insight into the structure–activity relationship, essential for the design of novel potential drugs, other factors, such as non-specific interactions with cellular proteins, have to be taken into account. To explore the potential non-specific influence of the complexes on protein structures, ovalbumin (OVA) was chosen as a model system to mimic cellular non-specific crowding environments with high protein concentrations. A Fourier-transform infrared spectroscopy study implied that the binding of 3 and 4 led to only moderate alternations in the secondary structures of the protein, without the possibility to penetrate into hydrophobic core of the protein and disruption of protein native fold. Contrary, the effect of complex 5 on OVA secondary structures was concentration-dependent. While the lower concentration of complex 5 had no effect on OVA structure, a doubled concentration of complex 5 led to complete disruption of the content native-like secondary structures. The concentration-dependent effect of complex 5 on the changes in secondary structures and considerable increase in the exposure of OVA hydrophobic surfaces to water may be related to a potential crosslinking that leads to OVA aggregation. © 2022 Serbian Chemical Society. All rights reserved.
T2  - Journal of the Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - The effect of non-specific binding of Pd(II) complexes with N-heteroaromatic hydrazone ligands on the protein structure
EP  - 1156
IS  - 10
SP  - 1143
VL  - 87
DO  - 10.2298/JSC220518050M
ER  - 

@article{
author = "Mijin, Nemanja D. and Milošević, Jelica and Filipović, Nenad R. and Mitić, Dragana and Anđelković, Katarina and Polović, Natalija Đ. and Todorović, Tamara R.",
year = "2022",
abstract = "Previously, the cytotoxic actions of five Pd(II) complexes with bidentate N-heteroaromatic chelators (complexes 1–5) on a palette of several cancer cell lines were investigated. However, the results of the cytotoxic activity did not correlate with the hydrophobic character of the complexes. To gain further insight into the structure–activity relationship, essential for the design of novel potential drugs, other factors, such as non-specific interactions with cellular proteins, have to be taken into account. To explore the potential non-specific influence of the complexes on protein structures, ovalbumin (OVA) was chosen as a model system to mimic cellular non-specific crowding environments with high protein concentrations. A Fourier-transform infrared spectroscopy study implied that the binding of 3 and 4 led to only moderate alternations in the secondary structures of the protein, without the possibility to penetrate into hydrophobic core of the protein and disruption of protein native fold. Contrary, the effect of complex 5 on OVA secondary structures was concentration-dependent. While the lower concentration of complex 5 had no effect on OVA structure, a doubled concentration of complex 5 led to complete disruption of the content native-like secondary structures. The concentration-dependent effect of complex 5 on the changes in secondary structures and considerable increase in the exposure of OVA hydrophobic surfaces to water may be related to a potential crosslinking that leads to OVA aggregation. © 2022 Serbian Chemical Society. All rights reserved.",
journal = "Journal of the Serbian Chemical Society, Journal of the Serbian Chemical Society",
title = "The effect of non-specific binding of Pd(II) complexes with N-heteroaromatic hydrazone ligands on the protein structure",
pages = "1156-1143",
number = "10",
volume = "87",
doi = "10.2298/JSC220518050M"
}

Mijin, N. D., Milošević, J., Filipović, N. R., Mitić, D., Anđelković, K., Polović, N. Đ.,& Todorović, T. R.. (2022). The effect of non-specific binding of Pd(II) complexes with N-heteroaromatic hydrazone ligands on the protein structure. in Journal of the Serbian Chemical Society, 87(10), 1143-1156.
https://doi.org/10.2298/JSC220518050M

Mijin ND, Milošević J, Filipović NR, Mitić D, Anđelković K, Polović NĐ, Todorović TR. The effect of non-specific binding of Pd(II) complexes with N-heteroaromatic hydrazone ligands on the protein structure. in Journal of the Serbian Chemical Society. 2022;87(10):1143-1156.
doi:10.2298/JSC220518050M .

Mijin, Nemanja D., Milošević, Jelica, Filipović, Nenad R., Mitić, Dragana, Anđelković, Katarina, Polović, Natalija Đ., Todorović, Tamara R., "The effect of non-specific binding of Pd(II) complexes with N-heteroaromatic hydrazone ligands on the protein structure" in Journal of the Serbian Chemical Society, 87, no. 10 (2022):1143-1156,
https://doi.org/10.2298/JSC220518050M . .

TY  - JOUR
AU  - Araškov, Jovana B.
AU  - Nikolić, Milan
AU  - Armaković, Stevan
AU  - Armaković, Sanja
AU  - Rodić, Marko
AU  - Vušnjevac, Aleksandar
AU  - Padrón, José M.
AU  - Todorović, Tamara R.
AU  - Filipović, Nenad R.
PY  - 2021
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5849
AB  - To evaluate the impact of chalcogen atom type, we performed a comparative study of antioxidant capacity and antiproliferative activity of a focused library of three pyridine-based hydrazonyl-1,3-selenazoles and their sulfur isosteres in five antioxidant assays and in six human solid tumor cell lines, respectively. In-silico calculations were further used to check pharmacokinetic profiles of investigated compounds such as drug-likeness parameters and interaction with water. Generally, selenium compounds appear to be more potent in comparison to sulfur isosteres in the performed essays.
PB  - Elsevier B.V.
T2  - Journal of Molecular Structure
T1  - Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres
SP  - 130512
VL  - 1240
DO  - 10.1016/j.molstruc.2021.130512
ER  - 

@article{
author = "Araškov, Jovana B. and Nikolić, Milan and Armaković, Stevan and Armaković, Sanja and Rodić, Marko and Vušnjevac, Aleksandar and Padrón, José M. and Todorović, Tamara R. and Filipović, Nenad R.",
year = "2021",
abstract = "To evaluate the impact of chalcogen atom type, we performed a comparative study of antioxidant capacity and antiproliferative activity of a focused library of three pyridine-based hydrazonyl-1,3-selenazoles and their sulfur isosteres in five antioxidant assays and in six human solid tumor cell lines, respectively. In-silico calculations were further used to check pharmacokinetic profiles of investigated compounds such as drug-likeness parameters and interaction with water. Generally, selenium compounds appear to be more potent in comparison to sulfur isosteres in the performed essays.",
publisher = "Elsevier B.V.",
journal = "Journal of Molecular Structure",
title = "Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres",
pages = "130512",
volume = "1240",
doi = "10.1016/j.molstruc.2021.130512"
}

Araškov, J. B., Nikolić, M., Armaković, S., Armaković, S., Rodić, M., Vušnjevac, A., Padrón, J. M., Todorović, T. R.,& Filipović, N. R.. (2021). Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres. in Journal of Molecular Structure
Elsevier B.V.., 1240, 130512.
https://doi.org/10.1016/j.molstruc.2021.130512

Araškov JB, Nikolić M, Armaković S, Armaković S, Rodić M, Vušnjevac A, Padrón JM, Todorović TR, Filipović NR. Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres. in Journal of Molecular Structure. 2021;1240:130512.
doi:10.1016/j.molstruc.2021.130512 .

Araškov, Jovana B., Nikolić, Milan, Armaković, Stevan, Armaković, Sanja, Rodić, Marko, Vušnjevac, Aleksandar, Padrón, José M., Todorović, Tamara R., Filipović, Nenad R., "Structural, antioxidant, antiproliferative and in‒silico study of pyridine-based hydrazonyl‒selenazoles and their sulphur isosteres" in Journal of Molecular Structure, 1240 (2021):130512,
https://doi.org/10.1016/j.molstruc.2021.130512 . .

TY  - JOUR
AU  - Ristić, Predrag G.
AU  - Rodić, Marko V.
AU  - Filipović, Nenad R.
AU  - Mitić, Dragana M.
AU  - Andjelković, Katarina K.
AU  - Todorović, Tamara R.
PY  - 2021
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5860
AB  - Two square-planar complexes, [PtLCl] (1) and [PdLCl] (2), were synthesized with quinoline-2-carboxaldehyde thiosemicarbazone ligand (HL), and characterized by IR and NMR spectroscopy and single crystal X-ray diffraction analysis. In both complexes, L- is coordinated tridentately via the same donor atom set, while the fourth coordination site is occupied by a chloride ion. However, the complexes are not isostructural due to different types of non-covalent intermolecular interactions. These interactions were analyzed using Hirshfeld surfaces and two-dimensional fingerprint plots.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - Structural study of Pt(II) and Pd(II) complexes with quinoline-2-carboxaldehyde thiosemicarbazone
EP  - 406
IS  - 4
SP  - 393
VL  - 86
DO  - 10.2298/JSC201126079R
ER  - 

@article{
author = "Ristić, Predrag G. and Rodić, Marko V. and Filipović, Nenad R. and Mitić, Dragana M. and Andjelković, Katarina K. and Todorović, Tamara R.",
year = "2021",
abstract = "Two square-planar complexes, [PtLCl] (1) and [PdLCl] (2), were synthesized with quinoline-2-carboxaldehyde thiosemicarbazone ligand (HL), and characterized by IR and NMR spectroscopy and single crystal X-ray diffraction analysis. In both complexes, L- is coordinated tridentately via the same donor atom set, while the fourth coordination site is occupied by a chloride ion. However, the complexes are not isostructural due to different types of non-covalent intermolecular interactions. These interactions were analyzed using Hirshfeld surfaces and two-dimensional fingerprint plots.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "Structural study of Pt(II) and Pd(II) complexes with quinoline-2-carboxaldehyde thiosemicarbazone",
pages = "406-393",
number = "4",
volume = "86",
doi = "10.2298/JSC201126079R"
}

Ristić, P. G., Rodić, M. V., Filipović, N. R., Mitić, D. M., Andjelković, K. K.,& Todorović, T. R.. (2021). Structural study of Pt(II) and Pd(II) complexes with quinoline-2-carboxaldehyde thiosemicarbazone. in Journal of the Serbian Chemical Society
Serbian Chemical Society., 86(4), 393-406.
https://doi.org/10.2298/JSC201126079R

Ristić PG, Rodić MV, Filipović NR, Mitić DM, Andjelković KK, Todorović TR. Structural study of Pt(II) and Pd(II) complexes with quinoline-2-carboxaldehyde thiosemicarbazone. in Journal of the Serbian Chemical Society. 2021;86(4):393-406.
doi:10.2298/JSC201126079R .

Ristić, Predrag G., Rodić, Marko V., Filipović, Nenad R., Mitić, Dragana M., Andjelković, Katarina K., Todorović, Tamara R., "Structural study of Pt(II) and Pd(II) complexes with quinoline-2-carboxaldehyde thiosemicarbazone" in Journal of the Serbian Chemical Society, 86, no. 4 (2021):393-406,
https://doi.org/10.2298/JSC201126079R . .

TY  - JOUR
AU  - Ristić, Predrag
AU  - Filipović, Nenad
AU  - Blagojević, Vladimir
AU  - Ćirković, Jovana
AU  - Barta Holló, Berta
AU  - Đokić, Veljko R.
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Marjanović, Ivana
AU  - Klisurić, Olivera R.
AU  - Todorović, Tamara R.
PY  - 2021
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5898
AB  - Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞(1), {[Ag(L1)2]ClO4}∞(2), {[Ag(L2)2]NO3·H2O}∞(3) and {[Ag(L2)2]ClO4}∞(4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile (L2) ligands. Compounds1and2are two-dimensional, while3and4are three-dimensional. L1 and L2 are 1,4-bis-monodentate ligands in all compounds, while Ag(i) ions are four-coordinated in a slightly distorted tetrahedral geometry. Topological analysis in standard representations suggests that underlying nets in1and2have ansqltopology, while3and4exhibit adiatopology. Thermal analysis shows that3loses crystalline water at room temperature, while other compounds show good thermal stability. All compounds show good photocatalytic activity for photocatalytic degradation of the mordant blue 9 dye, with reaction rates in the range 0.029 to 0.061 min−1. The best result was obtained for compound4, which can be correlated to its largest lattice volume.
PB  - Royal Society of Chemistry
T2  - CrystEngComm
T1  - 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior
EP  - 4815
IS  - 27
SP  - 4799
VL  - 23
DO  - 10.1039/d1ce00394a
ER  - 

@article{
author = "Ristić, Predrag and Filipović, Nenad and Blagojević, Vladimir and Ćirković, Jovana and Barta Holló, Berta and Đokić, Veljko R. and Donnard, Morgan and Gulea, Mihaela and Marjanović, Ivana and Klisurić, Olivera R. and Todorović, Tamara R.",
year = "2021",
abstract = "Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞(1), {[Ag(L1)2]ClO4}∞(2), {[Ag(L2)2]NO3·H2O}∞(3) and {[Ag(L2)2]ClO4}∞(4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile (L2) ligands. Compounds1and2are two-dimensional, while3and4are three-dimensional. L1 and L2 are 1,4-bis-monodentate ligands in all compounds, while Ag(i) ions are four-coordinated in a slightly distorted tetrahedral geometry. Topological analysis in standard representations suggests that underlying nets in1and2have ansqltopology, while3and4exhibit adiatopology. Thermal analysis shows that3loses crystalline water at room temperature, while other compounds show good thermal stability. All compounds show good photocatalytic activity for photocatalytic degradation of the mordant blue 9 dye, with reaction rates in the range 0.029 to 0.061 min−1. The best result was obtained for compound4, which can be correlated to its largest lattice volume.",
publisher = "Royal Society of Chemistry",
journal = "CrystEngComm",
title = "2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior",
pages = "4815-4799",
number = "27",
volume = "23",
doi = "10.1039/d1ce00394a"
}

Ristić, P., Filipović, N., Blagojević, V., Ćirković, J., Barta Holló, B., Đokić, V. R., Donnard, M., Gulea, M., Marjanović, I., Klisurić, O. R.,& Todorović, T. R.. (2021). 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. in CrystEngComm
Royal Society of Chemistry., 23(27), 4799-4815.
https://doi.org/10.1039/d1ce00394a

Ristić P, Filipović N, Blagojević V, Ćirković J, Barta Holló B, Đokić VR, Donnard M, Gulea M, Marjanović I, Klisurić OR, Todorović TR. 2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior. in CrystEngComm. 2021;23(27):4799-4815.
doi:10.1039/d1ce00394a .

Ristić, Predrag, Filipović, Nenad, Blagojević, Vladimir, Ćirković, Jovana, Barta Holló, Berta, Đokić, Veljko R., Donnard, Morgan, Gulea, Mihaela, Marjanović, Ivana, Klisurić, Olivera R., Todorović, Tamara R., "2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior" in CrystEngComm, 23, no. 27 (2021):4799-4815,
https://doi.org/10.1039/d1ce00394a . .

TY  - JOUR
AU  - Valente, Andreia
AU  - Podolski-Renić, Ana
AU  - Poetsch, Isabella
AU  - Filipović, Nenad
AU  - López, Óscar
AU  - Turel, Iztok
AU  - Heffeter, Petra
PY  - 2021
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5918
AB  - Drug resistance remains the major cause of cancer treatment failure especially at the late stage of the disease. However, based on their versatile chemistry, metal and metalloid compounds offer the possibility to design fine-tuned drugs to circumvent and even specifically target drug-resistant cancer cells. Based on the paramount importance of platinum drugs in the clinics, two main areas of drug resistance reversal strategies exist: overcoming resistance to platinum drugs as well as multidrug resistance based on ABC efflux pumps. The current review provides an overview of both aspects of drug design and discusses the open questions in the field. The areas of drug resistance covered in this article involve: 1) Altered expression of proteins involved in metal uptake, efflux or intracellular distribution, 2) Enhanced drug efflux via ABC transporters, 3) Altered metabolism in drug-resistant cancer cells, 4) Altered thiol or redox homeostasis, 5) Altered DNA damage recognition and enhanced DNA damage repair, 6) Impaired induction of apoptosis and 7) Altered interaction with the immune system. This review represents the first collection of metal (including platinum, ruthenium, iridium, gold, and copper) and metalloid drugs (e.g. arsenic and selenium) which demonstrated drug resistance reversal activity. A special focus is on compounds characterized by collateral sensitivity of ABC transporter-overexpressing cancer cells. Through this approach, we wish to draw the attention to open research questions in the field. Future investigations are warranted to obtain more insights into the mechanisms of action of the most potent compounds which target specific modalities of drug resistance.
PB  - Churchill Livingstone
T2  - Drug Resistance Updates
T1  - Metal- and metalloid-based compounds to target and reverse cancer multidrug resistance
SP  - 100778
VL  - 58
DO  - 10.1016/j.drup.2021.100778
ER  - 

@article{
author = "Valente, Andreia and Podolski-Renić, Ana and Poetsch, Isabella and Filipović, Nenad and López, Óscar and Turel, Iztok and Heffeter, Petra",
year = "2021",
abstract = "Drug resistance remains the major cause of cancer treatment failure especially at the late stage of the disease. However, based on their versatile chemistry, metal and metalloid compounds offer the possibility to design fine-tuned drugs to circumvent and even specifically target drug-resistant cancer cells. Based on the paramount importance of platinum drugs in the clinics, two main areas of drug resistance reversal strategies exist: overcoming resistance to platinum drugs as well as multidrug resistance based on ABC efflux pumps. The current review provides an overview of both aspects of drug design and discusses the open questions in the field. The areas of drug resistance covered in this article involve: 1) Altered expression of proteins involved in metal uptake, efflux or intracellular distribution, 2) Enhanced drug efflux via ABC transporters, 3) Altered metabolism in drug-resistant cancer cells, 4) Altered thiol or redox homeostasis, 5) Altered DNA damage recognition and enhanced DNA damage repair, 6) Impaired induction of apoptosis and 7) Altered interaction with the immune system. This review represents the first collection of metal (including platinum, ruthenium, iridium, gold, and copper) and metalloid drugs (e.g. arsenic and selenium) which demonstrated drug resistance reversal activity. A special focus is on compounds characterized by collateral sensitivity of ABC transporter-overexpressing cancer cells. Through this approach, we wish to draw the attention to open research questions in the field. Future investigations are warranted to obtain more insights into the mechanisms of action of the most potent compounds which target specific modalities of drug resistance.",
publisher = "Churchill Livingstone",
journal = "Drug Resistance Updates",
title = "Metal- and metalloid-based compounds to target and reverse cancer multidrug resistance",
pages = "100778",
volume = "58",
doi = "10.1016/j.drup.2021.100778"
}

Valente, A., Podolski-Renić, A., Poetsch, I., Filipović, N., López, Ó., Turel, I.,& Heffeter, P.. (2021). Metal- and metalloid-based compounds to target and reverse cancer multidrug resistance. in Drug Resistance Updates
Churchill Livingstone., 58, 100778.
https://doi.org/10.1016/j.drup.2021.100778

Valente A, Podolski-Renić A, Poetsch I, Filipović N, López Ó, Turel I, Heffeter P. Metal- and metalloid-based compounds to target and reverse cancer multidrug resistance. in Drug Resistance Updates. 2021;58:100778.
doi:10.1016/j.drup.2021.100778 .

Valente, Andreia, Podolski-Renić, Ana, Poetsch, Isabella, Filipović, Nenad, López, Óscar, Turel, Iztok, Heffeter, Petra, "Metal- and metalloid-based compounds to target and reverse cancer multidrug resistance" in Drug Resistance Updates, 58 (2021):100778,
https://doi.org/10.1016/j.drup.2021.100778 . .

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Filipović, Nenad
AU  - Verbić, Tatjana Z.
AU  - Milcić, Milos K.
AU  - Todorović, Tamara R.
AU  - Cvijetić, Ilija N.
AU  - Klisurić, Olivera
AU  - Radisić, Marina M.
AU  - Marinković, Aleksandar D.
PY  - 2020
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5363
AB  - The substituent and solvent effect on intramolecular charge transfer (ICT) of twelve monocarbohydrazones (mCHs) were studied using experimental and theoretical methodology. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear free energy relationships (LFERs) principles, i.e. using the Kamlet-Taft and Catalan models. Linear free energy relationships in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on UV-Vis, NMR and pK(a) change. According to crystallographic data and quantum chemical calculations, the trans (E) form was found to be more stable. A photochromism of compounds with 2-hydroxyphenyl and 2-pyridylimino groups substituted at imine carbon atom results in E/Z isomerization due to creation of intermolecular hydrogen bond in E and Z form, respectively. Multiple stage mass spectrometry (MS-MSn) analysis was applied to define main fragmentation pathways. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2/6-311 G(d,p) and time-dependent density functional (TD-DFT) methods. TD-DFT calculations were performed to quantify the efficiency of intramolecular charge transfer (ICT) with the aid of the charge-transfer distance (DCT) and the amount of transferred charge (QCT) calculation. It was found that both substituents and solvents influence electron density shift i.e. extent of conjugation, and affect ICT character in the course of excitation.
PB  - Elsevier, Amsterdam
T2  - Arabian Journal of Chemistry
T1  - A detailed experimental and computational study of monocarbohydrazones
EP  - 953
IS  - 1
SP  - 932
VL  - 13
DO  - 10.1016/j.arabjc.2017.08.010
ER  - 

@article{
author = "Božić, Aleksandra R. and Filipović, Nenad and Verbić, Tatjana Z. and Milcić, Milos K. and Todorović, Tamara R. and Cvijetić, Ilija N. and Klisurić, Olivera and Radisić, Marina M. and Marinković, Aleksandar D.",
year = "2020",
abstract = "The substituent and solvent effect on intramolecular charge transfer (ICT) of twelve monocarbohydrazones (mCHs) were studied using experimental and theoretical methodology. The effects of specific and non-specific solvent-solute interactions on the UV-Vis absorption maxima shifts were evaluated using linear free energy relationships (LFERs) principles, i.e. using the Kamlet-Taft and Catalan models. Linear free energy relationships in the form of single substituent parameter equation (SSP) was used to analyze substituent effect on UV-Vis, NMR and pK(a) change. According to crystallographic data and quantum chemical calculations, the trans (E) form was found to be more stable. A photochromism of compounds with 2-hydroxyphenyl and 2-pyridylimino groups substituted at imine carbon atom results in E/Z isomerization due to creation of intermolecular hydrogen bond in E and Z form, respectively. Multiple stage mass spectrometry (MS-MSn) analysis was applied to define main fragmentation pathways. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2/6-311 G(d,p) and time-dependent density functional (TD-DFT) methods. TD-DFT calculations were performed to quantify the efficiency of intramolecular charge transfer (ICT) with the aid of the charge-transfer distance (DCT) and the amount of transferred charge (QCT) calculation. It was found that both substituents and solvents influence electron density shift i.e. extent of conjugation, and affect ICT character in the course of excitation.",
publisher = "Elsevier, Amsterdam",
journal = "Arabian Journal of Chemistry",
title = "A detailed experimental and computational study of monocarbohydrazones",
pages = "953-932",
number = "1",
volume = "13",
doi = "10.1016/j.arabjc.2017.08.010"
}

Božić, A. R., Filipović, N., Verbić, T. Z., Milcić, M. K., Todorović, T. R., Cvijetić, I. N., Klisurić, O., Radisić, M. M.,& Marinković, A. D.. (2020). A detailed experimental and computational study of monocarbohydrazones. in Arabian Journal of Chemistry
Elsevier, Amsterdam., 13(1), 932-953.
https://doi.org/10.1016/j.arabjc.2017.08.010

Božić AR, Filipović N, Verbić TZ, Milcić MK, Todorović TR, Cvijetić IN, Klisurić O, Radisić MM, Marinković AD. A detailed experimental and computational study of monocarbohydrazones. in Arabian Journal of Chemistry. 2020;13(1):932-953.
doi:10.1016/j.arabjc.2017.08.010 .

Božić, Aleksandra R., Filipović, Nenad, Verbić, Tatjana Z., Milcić, Milos K., Todorović, Tamara R., Cvijetić, Ilija N., Klisurić, Olivera, Radisić, Marina M., Marinković, Aleksandar D., "A detailed experimental and computational study of monocarbohydrazones" in Arabian Journal of Chemistry, 13, no. 1 (2020):932-953,
https://doi.org/10.1016/j.arabjc.2017.08.010 . .

TY  - JOUR
AU  - Ristić, Predrag
AU  - Todorović, Tamara R.
AU  - Blagojević, Vladimir A.
AU  - Klisurić, Olivera
AU  - Marjanović, Ivana
AU  - Hollo, Berta Barta
AU  - Vulić, Predrag J.
AU  - Gulea, Mihaela
AU  - Donnard, Morgan
AU  - Monge, Miguel
AU  - Rodriguez-Castillo, Maria
AU  - Lopez-de-Luzuriaga, Jose M.
AU  - Filipović, Nenad
PY  - 2020
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5281
AB  - Four silver-based coordination polymers, {[Ag(L)(2)](BF4)}(infinity) (1), {[Ag(H2BTC)(L)]center dot(H3BTC)}(infinity) (2), {[Ag-2(H2BTEC)(L)(2)]..3.33H(2)O}(infinity) (3), and [Ag(H(25)SSA)(L)](infinity) (4), were synthesized using thiomorpholine-4-carbonitrile (L) as the primary ligand and three aromatic polyoxoacids as coligands: trimesic (H3BTC), pyromellitic (H4BTEC), and 5-sulfosalicylic acid (H(35)SSA). Compounds 1 and 3 are two-dimensional, while 2 and 4 are one-dimensional. L acts as a bis-monodentate ligand, while the Ag(I) ion is three-coordinated in 2 and four-coordinated in all of the other compounds. The tetrahedral coordination of Ag(I) in 3 leads to an almost complete absence of intermolecular interactions with the metal center. All compounds show reasonable photocatalytic activity for photocatalytic degradation of mordant blue 9 dye, with reaction rates in the 0.036-0.056 min(-1) range. Changes in the reaction rates can be correlated with the type and coordination of the coligand. Complex 3 exhibits photoluminescence at 77 K, while 4 exhibits photoluminescence at both room temperature and 77 K. Luminescence lifetimes indicate electronic transitions of singlet parentage, where transitions are allowed. A TD-DFT study determined the contributions of individual singlet-singlet electronic excitations to the fluorescence, indicating that metal- intraligand transitions are responsible for luminescence in both complexes.
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth & Design
T1  - 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study
EP  - 4478
IS  - 7
SP  - 4461
VL  - 20
DO  - 10.1021/acs.cgd.0c00287
ER  - 

@article{
author = "Ristić, Predrag and Todorović, Tamara R. and Blagojević, Vladimir A. and Klisurić, Olivera and Marjanović, Ivana and Hollo, Berta Barta and Vulić, Predrag J. and Gulea, Mihaela and Donnard, Morgan and Monge, Miguel and Rodriguez-Castillo, Maria and Lopez-de-Luzuriaga, Jose M. and Filipović, Nenad",
year = "2020",
abstract = "Four silver-based coordination polymers, {[Ag(L)(2)](BF4)}(infinity) (1), {[Ag(H2BTC)(L)]center dot(H3BTC)}(infinity) (2), {[Ag-2(H2BTEC)(L)(2)]..3.33H(2)O}(infinity) (3), and [Ag(H(25)SSA)(L)](infinity) (4), were synthesized using thiomorpholine-4-carbonitrile (L) as the primary ligand and three aromatic polyoxoacids as coligands: trimesic (H3BTC), pyromellitic (H4BTEC), and 5-sulfosalicylic acid (H(35)SSA). Compounds 1 and 3 are two-dimensional, while 2 and 4 are one-dimensional. L acts as a bis-monodentate ligand, while the Ag(I) ion is three-coordinated in 2 and four-coordinated in all of the other compounds. The tetrahedral coordination of Ag(I) in 3 leads to an almost complete absence of intermolecular interactions with the metal center. All compounds show reasonable photocatalytic activity for photocatalytic degradation of mordant blue 9 dye, with reaction rates in the 0.036-0.056 min(-1) range. Changes in the reaction rates can be correlated with the type and coordination of the coligand. Complex 3 exhibits photoluminescence at 77 K, while 4 exhibits photoluminescence at both room temperature and 77 K. Luminescence lifetimes indicate electronic transitions of singlet parentage, where transitions are allowed. A TD-DFT study determined the contributions of individual singlet-singlet electronic excitations to the fluorescence, indicating that metal- intraligand transitions are responsible for luminescence in both complexes.",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth & Design",
title = "1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study",
pages = "4478-4461",
number = "7",
volume = "20",
doi = "10.1021/acs.cgd.0c00287"
}

Ristić, P., Todorović, T. R., Blagojević, V. A., Klisurić, O., Marjanović, I., Hollo, B. B., Vulić, P. J., Gulea, M., Donnard, M., Monge, M., Rodriguez-Castillo, M., Lopez-de-Luzuriaga, J. M.,& Filipović, N.. (2020). 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. in Crystal Growth & Design
Amer Chemical Soc, Washington., 20(7), 4461-4478.
https://doi.org/10.1021/acs.cgd.0c00287

Ristić P, Todorović TR, Blagojević VA, Klisurić O, Marjanović I, Hollo BB, Vulić PJ, Gulea M, Donnard M, Monge M, Rodriguez-Castillo M, Lopez-de-Luzuriaga JM, Filipović N. 1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study. in Crystal Growth & Design. 2020;20(7):4461-4478.
doi:10.1021/acs.cgd.0c00287 .

Ristić, Predrag, Todorović, Tamara R., Blagojević, Vladimir A., Klisurić, Olivera, Marjanović, Ivana, Hollo, Berta Barta, Vulić, Predrag J., Gulea, Mihaela, Donnard, Morgan, Monge, Miguel, Rodriguez-Castillo, Maria, Lopez-de-Luzuriaga, Jose M., Filipović, Nenad, "1D and 2D Silver-Based Coordination Polymers with Thiomorpholine-4-carbonitrile and Aromatic Polyoxoacids as Coligands: Structure, Photocatalysis, Photoluminescence, and TD-DFT Study" in Crystal Growth & Design, 20, no. 7 (2020):4461-4478,
https://doi.org/10.1021/acs.cgd.0c00287 . .

TY  - JOUR
AU  - Klisurić, Olivera
AU  - Armaković, Sanja J.
AU  - Armaković, Stevan
AU  - Marković, Sanja
AU  - Todorović, Tamara R.
AU  - Portalone, Gustavo
AU  - Novović, Katarina
AU  - Lozo, Jelena
AU  - Filipović, Nenad
PY  - 2020
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5361
AB  - In this work pharmaceutical application of focused library of six quinoline-based chalcogensemicarbazones (QBCs) was tested through determination of their antimicrobial activity against twenty-eight Gram-negative and Gram-positive strains from different origin. Pharmacokinetic properties have been assessed by the analysis of frequently employed drug likeness parameters. Computational study has been complemented with calculation of their global and local reactive properties, within the framework of density functional theory (DFT). Among other information, DFT calculations helped us to locate the most reactive sites of investigated QBCs and to identify their sensitivity towards the oxidation.
PB  - Elsevier, Amsterdam
T2  - Journal of Molecular Structure
T1  - Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones
VL  - 1203
DO  - 10.1016/j.molstruc.2019.127482
ER  - 

@article{
author = "Klisurić, Olivera and Armaković, Sanja J. and Armaković, Stevan and Marković, Sanja and Todorović, Tamara R. and Portalone, Gustavo and Novović, Katarina and Lozo, Jelena and Filipović, Nenad",
year = "2020",
abstract = "In this work pharmaceutical application of focused library of six quinoline-based chalcogensemicarbazones (QBCs) was tested through determination of their antimicrobial activity against twenty-eight Gram-negative and Gram-positive strains from different origin. Pharmacokinetic properties have been assessed by the analysis of frequently employed drug likeness parameters. Computational study has been complemented with calculation of their global and local reactive properties, within the framework of density functional theory (DFT). Among other information, DFT calculations helped us to locate the most reactive sites of investigated QBCs and to identify their sensitivity towards the oxidation.",
publisher = "Elsevier, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones",
volume = "1203",
doi = "10.1016/j.molstruc.2019.127482"
}

Klisurić, O., Armaković, S. J., Armaković, S., Marković, S., Todorović, T. R., Portalone, G., Novović, K., Lozo, J.,& Filipović, N.. (2020). Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones. in Journal of Molecular Structure
Elsevier, Amsterdam., 1203.
https://doi.org/10.1016/j.molstruc.2019.127482

Klisurić O, Armaković SJ, Armaković S, Marković S, Todorović TR, Portalone G, Novović K, Lozo J, Filipović N. Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones. in Journal of Molecular Structure. 2020;1203.
doi:10.1016/j.molstruc.2019.127482 .

Klisurić, Olivera, Armaković, Sanja J., Armaković, Stevan, Marković, Sanja, Todorović, Tamara R., Portalone, Gustavo, Novović, Katarina, Lozo, Jelena, Filipović, Nenad, "Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones" in Journal of Molecular Structure, 1203 (2020),
https://doi.org/10.1016/j.molstruc.2019.127482 . .

TY  - JOUR
AU  - Sousa, Sergio F.
AU  - Simoes, Manuel
AU  - Filipović, Nenad
PY  - 2020
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5311
PB  - Frontiers Media Sa, Lausanne
T2  - Frontiers in Chemistry
T1  - Editorial: The Chemistry of Biofilms and Their Inhibitors
VL  - 8
DO  - 10.3389/fchem.2020.00746
ER  - 

@article{
author = "Sousa, Sergio F. and Simoes, Manuel and Filipović, Nenad",
year = "2020",
publisher = "Frontiers Media Sa, Lausanne",
journal = "Frontiers in Chemistry",
title = "Editorial: The Chemistry of Biofilms and Their Inhibitors",
volume = "8",
doi = "10.3389/fchem.2020.00746"
}

Sousa, S. F., Simoes, M.,& Filipović, N.. (2020). Editorial: The Chemistry of Biofilms and Their Inhibitors. in Frontiers in Chemistry
Frontiers Media Sa, Lausanne., 8.
https://doi.org/10.3389/fchem.2020.00746

Sousa SF, Simoes M, Filipović N. Editorial: The Chemistry of Biofilms and Their Inhibitors. in Frontiers in Chemistry. 2020;8.
doi:10.3389/fchem.2020.00746 .

Sousa, Sergio F., Simoes, Manuel, Filipović, Nenad, "Editorial: The Chemistry of Biofilms and Their Inhibitors" in Frontiers in Chemistry, 8 (2020),
https://doi.org/10.3389/fchem.2020.00746 . .

TY  - JOUR
AU  - Filipović, Nenad
AU  - Bjelogrlić, Snežana
AU  - Pelliccia, Sveva
AU  - Jovanović, Vesna B.
AU  - Kojić, Milan
AU  - Sencanski, Milan
AU  - La Regina, Giuseppe
AU  - Silvestri, Romano
AU  - Muller, Christian D.
AU  - Todorović, Tamara R.
PY  - 2020
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5364
AB  - Triapine, the most studied alpha-N-heterocyclic thiosemicarbazone, revealed potent activity against advanced leukemia, but was ineffective against a variety of solid tumors. Moreover, methemoglobinemia, which is a side effect of triapine administration, may limits all clinical application. To enhance anticancer activity and reduce side effects, we applied an isosteric replacement of sulfur to selenium atom was performed by synthesis and characterization of selenium triapine analog, 3-aminopyridine-2-carboxaldehyde selenosemicarbazone (selenotriapine). Compared to triapine, selenotriapine revealed superior pro-apoptotic activity with activation of intrinsic apoptotic pathway in both human monocytic leukemia (THP-1) and mammary adenocarcinoma (MCF-7) cell lines. For MCF-7 2-D cultures, selenotriapine induced notable increase in mitochondrial superoxide radical generation and dissipation of mitochondrial transmembrane potential. A significant delay in growth of MCF-7 spheroids (3-D culture) was accompanied by phenotypic stem cell reprogramming (Oct-4 expression). Additionally, selenotriapine demonstrated a very low toxicity profile as compared to triapine, confirmed over alleviated extent of methemoglobin formation and higher IC50 value in brine shrimp cytotoxicity assay.
PB  - Elsevier, Amsterdam
T2  - Arabian Journal of Chemistry
T1  - Selenotriapine - An isostere of the most studied thiosemicarbazone with pronounced pro-apoptotic activity, low toxicity and ability to challenge phenotype reprogramming of 3-D mammary adenocarcinoma tumors
EP  - 1489
IS  - 1
SP  - 1466
VL  - 13
DO  - 10.1016/j.arabjc.2017.11.017
ER  - 

@article{
author = "Filipović, Nenad and Bjelogrlić, Snežana and Pelliccia, Sveva and Jovanović, Vesna B. and Kojić, Milan and Sencanski, Milan and La Regina, Giuseppe and Silvestri, Romano and Muller, Christian D. and Todorović, Tamara R.",
year = "2020",
abstract = "Triapine, the most studied alpha-N-heterocyclic thiosemicarbazone, revealed potent activity against advanced leukemia, but was ineffective against a variety of solid tumors. Moreover, methemoglobinemia, which is a side effect of triapine administration, may limits all clinical application. To enhance anticancer activity and reduce side effects, we applied an isosteric replacement of sulfur to selenium atom was performed by synthesis and characterization of selenium triapine analog, 3-aminopyridine-2-carboxaldehyde selenosemicarbazone (selenotriapine). Compared to triapine, selenotriapine revealed superior pro-apoptotic activity with activation of intrinsic apoptotic pathway in both human monocytic leukemia (THP-1) and mammary adenocarcinoma (MCF-7) cell lines. For MCF-7 2-D cultures, selenotriapine induced notable increase in mitochondrial superoxide radical generation and dissipation of mitochondrial transmembrane potential. A significant delay in growth of MCF-7 spheroids (3-D culture) was accompanied by phenotypic stem cell reprogramming (Oct-4 expression). Additionally, selenotriapine demonstrated a very low toxicity profile as compared to triapine, confirmed over alleviated extent of methemoglobin formation and higher IC50 value in brine shrimp cytotoxicity assay.",
publisher = "Elsevier, Amsterdam",
journal = "Arabian Journal of Chemistry",
title = "Selenotriapine - An isostere of the most studied thiosemicarbazone with pronounced pro-apoptotic activity, low toxicity and ability to challenge phenotype reprogramming of 3-D mammary adenocarcinoma tumors",
pages = "1489-1466",
number = "1",
volume = "13",
doi = "10.1016/j.arabjc.2017.11.017"
}

Filipović, N., Bjelogrlić, S., Pelliccia, S., Jovanović, V. B., Kojić, M., Sencanski, M., La Regina, G., Silvestri, R., Muller, C. D.,& Todorović, T. R.. (2020). Selenotriapine - An isostere of the most studied thiosemicarbazone with pronounced pro-apoptotic activity, low toxicity and ability to challenge phenotype reprogramming of 3-D mammary adenocarcinoma tumors. in Arabian Journal of Chemistry
Elsevier, Amsterdam., 13(1), 1466-1489.
https://doi.org/10.1016/j.arabjc.2017.11.017

Filipović N, Bjelogrlić S, Pelliccia S, Jovanović VB, Kojić M, Sencanski M, La Regina G, Silvestri R, Muller CD, Todorović TR. Selenotriapine - An isostere of the most studied thiosemicarbazone with pronounced pro-apoptotic activity, low toxicity and ability to challenge phenotype reprogramming of 3-D mammary adenocarcinoma tumors. in Arabian Journal of Chemistry. 2020;13(1):1466-1489.
doi:10.1016/j.arabjc.2017.11.017 .

Filipović, Nenad, Bjelogrlić, Snežana, Pelliccia, Sveva, Jovanović, Vesna B., Kojić, Milan, Sencanski, Milan, La Regina, Giuseppe, Silvestri, Romano, Muller, Christian D., Todorović, Tamara R., "Selenotriapine - An isostere of the most studied thiosemicarbazone with pronounced pro-apoptotic activity, low toxicity and ability to challenge phenotype reprogramming of 3-D mammary adenocarcinoma tumors" in Arabian Journal of Chemistry, 13, no. 1 (2020):1466-1489,
https://doi.org/10.1016/j.arabjc.2017.11.017 . .

TY  - JOUR
AU  - Ristić, Predrag
AU  - Blagojević, Vladimir A.
AU  - Janjić, Goran
AU  - Rodić, Marko
AU  - Vulić, Predrag J.
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Chylewska, Agnieszka
AU  - Makowski, Mariusz
AU  - Todorović, Tamara
AU  - Filipović, Nenad
PY  - 2020
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5373
AB  - Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M-S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M-S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C-H/M and C-H/S are more dominant in 1 and C-H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt-S bond with respect to the ring chair conformation results in a significantly shorter C-H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C-H/Pd interaction distances in conformers with axial and equatorial positions of Pd-S bond with respect to the ring chair conformation.
PB  - Amer Chemical Soc, Washington
T2  - Crystal Growth & Design
T1  - Influence of C-H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study
EP  - 3033
IS  - 5
SP  - 3018
VL  - 20
DO  - 10.1021/acs.cgd.9b01661
ER  - 

@article{
author = "Ristić, Predrag and Blagojević, Vladimir A. and Janjić, Goran and Rodić, Marko and Vulić, Predrag J. and Donnard, Morgan and Gulea, Mihaela and Chylewska, Agnieszka and Makowski, Mariusz and Todorović, Tamara and Filipović, Nenad",
year = "2020",
abstract = "Pt(II) and Pd(II) complexes (1 and 2, respectively) with thiomorpholine-4-carbonitrile (TM-CN), an N-substituted thiomorpholine derivative, were synthesized from tetrachlorido precursors in water. Structural analysis has shown that 1 represents the first monomeric metal complex with this ligand type with an axial M-S bond with respect to the TM-CN ring chair conformation, while in 2 a typical equatorial M-S bond position with respect to the ring chair conformation was observed. A detailed DFT investigation revealed that axial conformers are more stable for molecular forms of both metals, while intermolecular interactions in the crystals stabilize the axial conformer for Pt(II) and the equatorial conformer for Pd(II). The magnitude of this stabilization in the case of 2 is large enough to change the most stable axial conformer in the molecular form to the equatorial conformer in the crystal. Further investigation of the strength of individual intermolecular interactions revealed significant differences of some interactions between the two structures. The likely cause of the difference in the crystal structures of experimentally obtained complexes is the fact that 1 and 2 exhibit different dominant interactions: C-H/M and C-H/S are more dominant in 1 and C-H/Cl interactions are more dominant in 2. In addition, DFT calculations have shown that while the axial position of the Pt-S bond with respect to the ring chair conformation results in a significantly shorter C-H/Pt interaction distance than that in the hypothetical equatorial conformer, there is very little difference in C-H/Pd interaction distances in conformers with axial and equatorial positions of Pd-S bond with respect to the ring chair conformation.",
publisher = "Amer Chemical Soc, Washington",
journal = "Crystal Growth & Design",
title = "Influence of C-H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study",
pages = "3033-3018",
number = "5",
volume = "20",
doi = "10.1021/acs.cgd.9b01661"
}

Ristić, P., Blagojević, V. A., Janjić, G., Rodić, M., Vulić, P. J., Donnard, M., Gulea, M., Chylewska, A., Makowski, M., Todorović, T.,& Filipović, N.. (2020). Influence of C-H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study. in Crystal Growth & Design
Amer Chemical Soc, Washington., 20(5), 3018-3033.
https://doi.org/10.1021/acs.cgd.9b01661

Ristić P, Blagojević VA, Janjić G, Rodić M, Vulić PJ, Donnard M, Gulea M, Chylewska A, Makowski M, Todorović T, Filipović N. Influence of C-H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study. in Crystal Growth & Design. 2020;20(5):3018-3033.
doi:10.1021/acs.cgd.9b01661 .

Ristić, Predrag, Blagojević, Vladimir A., Janjić, Goran, Rodić, Marko, Vulić, Predrag J., Donnard, Morgan, Gulea, Mihaela, Chylewska, Agnieszka, Makowski, Mariusz, Todorović, Tamara, Filipović, Nenad, "Influence of C-H/X (X = S, Cl, N, Pt/Pd) Interactions on the Molecular and Crystal Structures of Pt(II) and Pd(II) Complexes with Thiomorpholine-4-carbonitrile: Crystallographic, Thermal, and DFT Study" in Crystal Growth & Design, 20, no. 5 (2020):3018-3033,
https://doi.org/10.1021/acs.cgd.9b01661 . .

TY  - JOUR
AU  - Isca, Vera M.S.
AU  - Sencanski, Milan
AU  - Filipović, Nenad
AU  - Dos Santos, Daniel J.V.A.
AU  - Cipak-Gasparović, Ana
AU  - Saraiva, Lucilia
AU  - Afonso, Carlos A.M.
AU  - Rijo, Patricia
AU  - Garcia-Sosa, Alfonso T.
PY  - 2020
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5386
AB  - Plants have been used for centuries to treat several illnesses. The Plectranthus genus has a vast variety of species that has allowed the isolation of cytotoxic compounds with notable activities. The abietane diterpenes 6,7-dehydroroyleanone (DeRoy, 1), 7 alpha -acetoxy-6 beta -hydroxyroyleanone (Roy, 2), and Parvifloron D (ParvD, 3) were obtained from Plectranthus spp. and showed promising biological activities, such as cytotoxicity. The inhibitory effects of the different natural abietanes (1-3) were compared in MFC7, SkBr3, and SUM159 cell lines, as well as SUM159 grown in cancer stem cell-inducing conditions. Based on the royleanones' bioactivity, the derivatives RoyBz (4), RoyBzCl (5), RoyPr(2) (6), and DihydroxyRoy (7), previously obtained from 2, were selected for further studies. Protein kinases C (PKCs) are involved in several carcinogenic processes. Thus, PKCs are potential targets for cancer therapy. To date, the portfolio of available PKC modulators remains very limited due to the difficulty of designing isozyme-selective PKC modulators. As such, molecular docking was used to evaluate royleanones 1-6 as predicted isozyme-selective PKC binders. Subtle changes in the binding site of each PKC isoform change the predicted interaction profiles of the ligands. Subtle changes in royleanone substitution patterns, such as a double substitution only with non-substituted phenyls, or hydroxybenzoate at position four that flips the binding mode of ParvD (3), can increase the predicted interactions in certain PKC subtypes.
PB  - MDPI, BASEL
T2  - International Journal of Molecular Sciences
T1  - Activity to Breast Cancer Cell Lines of Different Malignancy and Predicted Interaction with Protein Kinase C Isoforms of Royleanones
IS  - 10
VL  - 21
DO  - 10.3390/ijms21103671
ER  - 

@article{
author = "Isca, Vera M.S. and Sencanski, Milan and Filipović, Nenad and Dos Santos, Daniel J.V.A. and Cipak-Gasparović, Ana and Saraiva, Lucilia and Afonso, Carlos A.M. and Rijo, Patricia and Garcia-Sosa, Alfonso T.",
year = "2020",
abstract = "Plants have been used for centuries to treat several illnesses. The Plectranthus genus has a vast variety of species that has allowed the isolation of cytotoxic compounds with notable activities. The abietane diterpenes 6,7-dehydroroyleanone (DeRoy, 1), 7 alpha -acetoxy-6 beta -hydroxyroyleanone (Roy, 2), and Parvifloron D (ParvD, 3) were obtained from Plectranthus spp. and showed promising biological activities, such as cytotoxicity. The inhibitory effects of the different natural abietanes (1-3) were compared in MFC7, SkBr3, and SUM159 cell lines, as well as SUM159 grown in cancer stem cell-inducing conditions. Based on the royleanones' bioactivity, the derivatives RoyBz (4), RoyBzCl (5), RoyPr(2) (6), and DihydroxyRoy (7), previously obtained from 2, were selected for further studies. Protein kinases C (PKCs) are involved in several carcinogenic processes. Thus, PKCs are potential targets for cancer therapy. To date, the portfolio of available PKC modulators remains very limited due to the difficulty of designing isozyme-selective PKC modulators. As such, molecular docking was used to evaluate royleanones 1-6 as predicted isozyme-selective PKC binders. Subtle changes in the binding site of each PKC isoform change the predicted interaction profiles of the ligands. Subtle changes in royleanone substitution patterns, such as a double substitution only with non-substituted phenyls, or hydroxybenzoate at position four that flips the binding mode of ParvD (3), can increase the predicted interactions in certain PKC subtypes.",
publisher = "MDPI, BASEL",
journal = "International Journal of Molecular Sciences",
title = "Activity to Breast Cancer Cell Lines of Different Malignancy and Predicted Interaction with Protein Kinase C Isoforms of Royleanones",
number = "10",
volume = "21",
doi = "10.3390/ijms21103671"
}

Isca, V. M.S., Sencanski, M., Filipović, N., Dos Santos, D. J.V.A., Cipak-Gasparović, A., Saraiva, L., Afonso, C. A.M., Rijo, P.,& Garcia-Sosa, A. T.. (2020). Activity to Breast Cancer Cell Lines of Different Malignancy and Predicted Interaction with Protein Kinase C Isoforms of Royleanones. in International Journal of Molecular Sciences
MDPI, BASEL., 21(10).
https://doi.org/10.3390/ijms21103671

Isca VM, Sencanski M, Filipović N, Dos Santos DJ, Cipak-Gasparović A, Saraiva L, Afonso CA, Rijo P, Garcia-Sosa AT. Activity to Breast Cancer Cell Lines of Different Malignancy and Predicted Interaction with Protein Kinase C Isoforms of Royleanones. in International Journal of Molecular Sciences. 2020;21(10).
doi:10.3390/ijms21103671 .

Isca, Vera M.S., Sencanski, Milan, Filipović, Nenad, Dos Santos, Daniel J.V.A., Cipak-Gasparović, Ana, Saraiva, Lucilia, Afonso, Carlos A.M., Rijo, Patricia, Garcia-Sosa, Alfonso T., "Activity to Breast Cancer Cell Lines of Different Malignancy and Predicted Interaction with Protein Kinase C Isoforms of Royleanones" in International Journal of Molecular Sciences, 21, no. 10 (2020),
https://doi.org/10.3390/ijms21103671 . .

TY  - CONF
AU  - Klisurić, Olivera
AU  - Armaković, Sanja
AU  - Armaković, Stevan
AU  - Marković, Sanja
AU  - Todorović, Tamara
AU  - Portalone, Gustavo
AU  - Filipović, Nenad
PY  - 2019
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4965
PB  - Int Union Crystallography, Chester
C3  - Acta Crystallographica A-Foundation and Advances
T1  - Structural and computational study of quinoline-based chalcogensemicarbazones
VL  - 75
DO  - 10.1107/S2053273319089903
ER  - 

@conference{
author = "Klisurić, Olivera and Armaković, Sanja and Armaković, Stevan and Marković, Sanja and Todorović, Tamara and Portalone, Gustavo and Filipović, Nenad",
year = "2019",
publisher = "Int Union Crystallography, Chester",
journal = "Acta Crystallographica A-Foundation and Advances",
title = "Structural and computational study of quinoline-based chalcogensemicarbazones",
volume = "75",
doi = "10.1107/S2053273319089903"
}

Klisurić, O., Armaković, S., Armaković, S., Marković, S., Todorović, T., Portalone, G.,& Filipović, N.. (2019). Structural and computational study of quinoline-based chalcogensemicarbazones. in Acta Crystallographica A-Foundation and Advances
Int Union Crystallography, Chester., 75.
https://doi.org/10.1107/S2053273319089903

Klisurić O, Armaković S, Armaković S, Marković S, Todorović T, Portalone G, Filipović N. Structural and computational study of quinoline-based chalcogensemicarbazones. in Acta Crystallographica A-Foundation and Advances. 2019;75.
doi:10.1107/S2053273319089903 .

Klisurić, Olivera, Armaković, Sanja, Armaković, Stevan, Marković, Sanja, Todorović, Tamara, Portalone, Gustavo, Filipović, Nenad, "Structural and computational study of quinoline-based chalcogensemicarbazones" in Acta Crystallographica A-Foundation and Advances, 75 (2019),
https://doi.org/10.1107/S2053273319089903 . .

TY  - CONF
AU  - Marjanović, Ivana
AU  - Klisurić, Olivera
AU  - Filipović, Nenad
AU  - Todorović, Tamara
AU  - Vulić, Predrag J.
AU  - Ristić, Predrag
AU  - Gulea, Michaela
AU  - Donnard, Morgan
PY  - 2019
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4966
PB  - Int Union Crystallography, Chester
C3  - Acta Crystallographica A-Foundation and Advances
T1  - Crystal structures and topological analysis of ag(i) complexes with 1,4-heterodisupstituted cyclohexanes
VL  - 75
DO  - 10.1107/S2053273319089861
ER  - 

@conference{
author = "Marjanović, Ivana and Klisurić, Olivera and Filipović, Nenad and Todorović, Tamara and Vulić, Predrag J. and Ristić, Predrag and Gulea, Michaela and Donnard, Morgan",
year = "2019",
publisher = "Int Union Crystallography, Chester",
journal = "Acta Crystallographica A-Foundation and Advances",
title = "Crystal structures and topological analysis of ag(i) complexes with 1,4-heterodisupstituted cyclohexanes",
volume = "75",
doi = "10.1107/S2053273319089861"
}

Marjanović, I., Klisurić, O., Filipović, N., Todorović, T., Vulić, P. J., Ristić, P., Gulea, M.,& Donnard, M.. (2019). Crystal structures and topological analysis of ag(i) complexes with 1,4-heterodisupstituted cyclohexanes. in Acta Crystallographica A-Foundation and Advances
Int Union Crystallography, Chester., 75.
https://doi.org/10.1107/S2053273319089861

Marjanović I, Klisurić O, Filipović N, Todorović T, Vulić PJ, Ristić P, Gulea M, Donnard M. Crystal structures and topological analysis of ag(i) complexes with 1,4-heterodisupstituted cyclohexanes. in Acta Crystallographica A-Foundation and Advances. 2019;75.
doi:10.1107/S2053273319089861 .

Marjanović, Ivana, Klisurić, Olivera, Filipović, Nenad, Todorović, Tamara, Vulić, Predrag J., Ristić, Predrag, Gulea, Michaela, Donnard, Morgan, "Crystal structures and topological analysis of ag(i) complexes with 1,4-heterodisupstituted cyclohexanes" in Acta Crystallographica A-Foundation and Advances, 75 (2019),
https://doi.org/10.1107/S2053273319089861 . .

TY  - JOUR
AU  - Filipović, Nenad
AU  - Ristić, Predrag
AU  - Janjić, Goran
AU  - Klisurić, Olivera
AU  - Puerta, Adrian
AU  - Padron, Jose M.
AU  - Donnard, Morgan
AU  - Gulea, Mihaela
AU  - Todorović, Tamara R.
PY  - 2019
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4991
AB  - The first complexes of 2-pyridylthiocyanate (L) and silver nitrate (1) and perchlorate (2) were prepared and characterized by a single crystal X-ray analysis. The common structural motif of both 1 and 2 is coordination of two L molecules via pyridine nitrogen atom to Ag(I). In order to properly describe the nature of coordinative bonds in 1 and 2, as well as crystal packings in respective structures, a Quantum Theory of Atoms in Molecule topological analysis was performed. Coordinated nitrate ion provides more electron density to Ag(I) in comparison to perchlorate ion. Additional electron density in the case of 2 was provided by the coordination of third L molecule via thiocyanate nitrogen atom resulting in a 1D polymeric structure. Detailed computational analysis of intermolecular interactions, as well analysis of interactions between pyridine ring and -SCN group was performed. Antiproliferative activity of monomeric compound I was found to be better than of cisplatin on three out of four studied human cancer cell lines. Docking studies indicate intercalation as a major binding mode of 1 to DNA, while human serum albumin was revealed as possible carrier for distribution of 1 in the blood stream.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Polyhedron
T1  - Silver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity study
VL  - 173
DO  - 10.1016/j.poly.2019.114132
ER  - 

@article{
author = "Filipović, Nenad and Ristić, Predrag and Janjić, Goran and Klisurić, Olivera and Puerta, Adrian and Padron, Jose M. and Donnard, Morgan and Gulea, Mihaela and Todorović, Tamara R.",
year = "2019",
abstract = "The first complexes of 2-pyridylthiocyanate (L) and silver nitrate (1) and perchlorate (2) were prepared and characterized by a single crystal X-ray analysis. The common structural motif of both 1 and 2 is coordination of two L molecules via pyridine nitrogen atom to Ag(I). In order to properly describe the nature of coordinative bonds in 1 and 2, as well as crystal packings in respective structures, a Quantum Theory of Atoms in Molecule topological analysis was performed. Coordinated nitrate ion provides more electron density to Ag(I) in comparison to perchlorate ion. Additional electron density in the case of 2 was provided by the coordination of third L molecule via thiocyanate nitrogen atom resulting in a 1D polymeric structure. Detailed computational analysis of intermolecular interactions, as well analysis of interactions between pyridine ring and -SCN group was performed. Antiproliferative activity of monomeric compound I was found to be better than of cisplatin on three out of four studied human cancer cell lines. Docking studies indicate intercalation as a major binding mode of 1 to DNA, while human serum albumin was revealed as possible carrier for distribution of 1 in the blood stream.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Polyhedron",
title = "Silver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity study",
volume = "173",
doi = "10.1016/j.poly.2019.114132"
}

Filipović, N., Ristić, P., Janjić, G., Klisurić, O., Puerta, A., Padron, J. M., Donnard, M., Gulea, M.,& Todorović, T. R.. (2019). Silver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity study. in Polyhedron
Pergamon-Elsevier Science Ltd, Oxford., 173.
https://doi.org/10.1016/j.poly.2019.114132

Filipović N, Ristić P, Janjić G, Klisurić O, Puerta A, Padron JM, Donnard M, Gulea M, Todorović TR. Silver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity study. in Polyhedron. 2019;173.
doi:10.1016/j.poly.2019.114132 .

Filipović, Nenad, Ristić, Predrag, Janjić, Goran, Klisurić, Olivera, Puerta, Adrian, Padron, Jose M., Donnard, Morgan, Gulea, Mihaela, Todorović, Tamara R., "Silver-based monomer and coordination polymer with organic thiocyanate ligand: Structural, computational and antiproliferative activity study" in Polyhedron, 173 (2019),
https://doi.org/10.1016/j.poly.2019.114132 . .

TY  - JOUR
AU  - Bjelogrlić, Snežana
AU  - Todorović, Tamara R.
AU  - Kojić, Milan
AU  - Sencanski, Milan
AU  - Nikolić, Milan
AU  - Visnjevac, Aleksandar
AU  - Araskov, Jovana
AU  - Miljković, Marija
AU  - Muller, Christian D.
AU  - Filipović, Nenad
PY  - 2019
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4916
AB  - Anticancer activity of Pd complexes 1-5 with bidentate N-heteroaromatic hydrazone ligands was investigated on human acute monocytic leukemia (THP-1; cells in a suspension) and human mammary adenocarcinoma (MCF-7; two-dimensional layer and three-dimensional spheroid tumor model) cell lines. For the Pd(II) complexes with condensation products of ethyl hydrazainoacetate and quinoline-8-carboxaldehyde (complex 1) and 2-for-mylpyridine (complex 3), for which apoptosis was determined as a mechanism of anticancer activity, further investigation revealed that they arrest the cell cycle in G0/G1 phase, induce generation of reactive oxygen species and inhibit Topoisomerase I in vitro. In silico studies corroborate experimental findings that these complexes show topoisomerase inhibition activity in the micromolar range and indicate binding to a DNA's minor groove as another potential target. Based on the results obtained by circular dichroism and fluorescence spectroscopy measurements, the most active complexes are suitable to be delivered to a blood stream via human serum albumin.
PB  - Elsevier Science Inc, New York
T2  - Journal of Inorganic Biochemistry
T1  - Pd(II) complexes with N-heteroaromatic hydrazone ligands: Anticancer activity, in silico and experimental target identification
VL  - 199
DO  - 10.1016/j.jinorgbio.2019.110758
ER  - 

@article{
author = "Bjelogrlić, Snežana and Todorović, Tamara R. and Kojić, Milan and Sencanski, Milan and Nikolić, Milan and Visnjevac, Aleksandar and Araskov, Jovana and Miljković, Marija and Muller, Christian D. and Filipović, Nenad",
year = "2019",
abstract = "Anticancer activity of Pd complexes 1-5 with bidentate N-heteroaromatic hydrazone ligands was investigated on human acute monocytic leukemia (THP-1; cells in a suspension) and human mammary adenocarcinoma (MCF-7; two-dimensional layer and three-dimensional spheroid tumor model) cell lines. For the Pd(II) complexes with condensation products of ethyl hydrazainoacetate and quinoline-8-carboxaldehyde (complex 1) and 2-for-mylpyridine (complex 3), for which apoptosis was determined as a mechanism of anticancer activity, further investigation revealed that they arrest the cell cycle in G0/G1 phase, induce generation of reactive oxygen species and inhibit Topoisomerase I in vitro. In silico studies corroborate experimental findings that these complexes show topoisomerase inhibition activity in the micromolar range and indicate binding to a DNA's minor groove as another potential target. Based on the results obtained by circular dichroism and fluorescence spectroscopy measurements, the most active complexes are suitable to be delivered to a blood stream via human serum albumin.",
publisher = "Elsevier Science Inc, New York",
journal = "Journal of Inorganic Biochemistry",
title = "Pd(II) complexes with N-heteroaromatic hydrazone ligands: Anticancer activity, in silico and experimental target identification",
volume = "199",
doi = "10.1016/j.jinorgbio.2019.110758"
}

Bjelogrlić, S., Todorović, T. R., Kojić, M., Sencanski, M., Nikolić, M., Visnjevac, A., Araskov, J., Miljković, M., Muller, C. D.,& Filipović, N.. (2019). Pd(II) complexes with N-heteroaromatic hydrazone ligands: Anticancer activity, in silico and experimental target identification. in Journal of Inorganic Biochemistry
Elsevier Science Inc, New York., 199.
https://doi.org/10.1016/j.jinorgbio.2019.110758

Bjelogrlić S, Todorović TR, Kojić M, Sencanski M, Nikolić M, Visnjevac A, Araskov J, Miljković M, Muller CD, Filipović N. Pd(II) complexes with N-heteroaromatic hydrazone ligands: Anticancer activity, in silico and experimental target identification. in Journal of Inorganic Biochemistry. 2019;199.
doi:10.1016/j.jinorgbio.2019.110758 .

Bjelogrlić, Snežana, Todorović, Tamara R., Kojić, Milan, Sencanski, Milan, Nikolić, Milan, Visnjevac, Aleksandar, Araskov, Jovana, Miljković, Marija, Muller, Christian D., Filipović, Nenad, "Pd(II) complexes with N-heteroaromatic hydrazone ligands: Anticancer activity, in silico and experimental target identification" in Journal of Inorganic Biochemistry, 199 (2019),
https://doi.org/10.1016/j.jinorgbio.2019.110758 . .

TY  - JOUR
AU  - Bjelogrlić, Snežana
AU  - Todorović, Tamara R.
AU  - Cvijetić, Ilija N.
AU  - Rodić, Marko V.
AU  - Vujcić, Miroslava
AU  - Marković, Sanja
AU  - Araskov, Jovana
AU  - Janović, Barbara
AU  - Emhemmed, Fathi
AU  - Muller, Christian D.
AU  - Filipović, Nenad
PY  - 2019
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5050
AB  - A novel binuclear Cd complex (1) with hydrazone-based ligand was prepared and characterized by spectroscopy and single crystal X-ray diffraction techniques. Complex 1 reveals a strong pro-apoptotic activity in both human, mammary adenocarcinoma cells (MCF-7) and pancreatic AsPC-1 cancer stem cells (CSCs). While apoptosis undergoes mostly caspase-independent, 1 stimulates the activation of intrinsic pathway with noteworthy down regulation of caspase-8 activity in respect to non-treated controls. Distribution of cells over mitotic division indicates that 1 caused DNA damage in both cell lines, which is confirmed in DNA interaction studies. Compared to 1, cisplatin (CDDP) does not achieve cell death in 2D cultured AsPC-1 cells, while induces different pattern of cell cycle changes and caspase activation in 2D cultured MCF-7 cells, implying that these two compounds do not share similar mechanism of action. Additionally, 1 acts as a powerful inducer of mitochondrial superoxide production with dissipated trans-membrane potential in the majority of the treated cells already after 6 h of incubation. On 3D tumors, 1 displays a superior activity against CSC model, and at 100 M induces disintegration of spheroids within 2 days of incubation. Fluorescence spectroscopy, along with molecular docking show that compound 1 binds to the minor groove of DNA. Compound 1 binds to the human serum albumin (HSA) showing that the HSA can effectively transport and store 1 in the human body. Thus, our current study strongly supports further investigations on antitumor activity of 1 as a drug candidate for the treatment of highly resistant pancreatic cancer.
PB  - Elsevier Science Inc, New York
T2  - Journal of Inorganic Biochemistry
T1  - A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells
EP  - 66
SP  - 45
VL  - 190
DO  - 10.1016/j.jinorgbio.2018.10.002
ER  - 

@article{
author = "Bjelogrlić, Snežana and Todorović, Tamara R. and Cvijetić, Ilija N. and Rodić, Marko V. and Vujcić, Miroslava and Marković, Sanja and Araskov, Jovana and Janović, Barbara and Emhemmed, Fathi and Muller, Christian D. and Filipović, Nenad",
year = "2019",
abstract = "A novel binuclear Cd complex (1) with hydrazone-based ligand was prepared and characterized by spectroscopy and single crystal X-ray diffraction techniques. Complex 1 reveals a strong pro-apoptotic activity in both human, mammary adenocarcinoma cells (MCF-7) and pancreatic AsPC-1 cancer stem cells (CSCs). While apoptosis undergoes mostly caspase-independent, 1 stimulates the activation of intrinsic pathway with noteworthy down regulation of caspase-8 activity in respect to non-treated controls. Distribution of cells over mitotic division indicates that 1 caused DNA damage in both cell lines, which is confirmed in DNA interaction studies. Compared to 1, cisplatin (CDDP) does not achieve cell death in 2D cultured AsPC-1 cells, while induces different pattern of cell cycle changes and caspase activation in 2D cultured MCF-7 cells, implying that these two compounds do not share similar mechanism of action. Additionally, 1 acts as a powerful inducer of mitochondrial superoxide production with dissipated trans-membrane potential in the majority of the treated cells already after 6 h of incubation. On 3D tumors, 1 displays a superior activity against CSC model, and at 100 M induces disintegration of spheroids within 2 days of incubation. Fluorescence spectroscopy, along with molecular docking show that compound 1 binds to the minor groove of DNA. Compound 1 binds to the human serum albumin (HSA) showing that the HSA can effectively transport and store 1 in the human body. Thus, our current study strongly supports further investigations on antitumor activity of 1 as a drug candidate for the treatment of highly resistant pancreatic cancer.",
publisher = "Elsevier Science Inc, New York",
journal = "Journal of Inorganic Biochemistry",
title = "A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells",
pages = "66-45",
volume = "190",
doi = "10.1016/j.jinorgbio.2018.10.002"
}

Bjelogrlić, S., Todorović, T. R., Cvijetić, I. N., Rodić, M. V., Vujcić, M., Marković, S., Araskov, J., Janović, B., Emhemmed, F., Muller, C. D.,& Filipović, N.. (2019). A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells. in Journal of Inorganic Biochemistry
Elsevier Science Inc, New York., 190, 45-66.
https://doi.org/10.1016/j.jinorgbio.2018.10.002

Bjelogrlić S, Todorović TR, Cvijetić IN, Rodić MV, Vujcić M, Marković S, Araskov J, Janović B, Emhemmed F, Muller CD, Filipović N. A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells. in Journal of Inorganic Biochemistry. 2019;190:45-66.
doi:10.1016/j.jinorgbio.2018.10.002 .

Bjelogrlić, Snežana, Todorović, Tamara R., Cvijetić, Ilija N., Rodić, Marko V., Vujcić, Miroslava, Marković, Sanja, Araskov, Jovana, Janović, Barbara, Emhemmed, Fathi, Muller, Christian D., Filipović, Nenad, "A novel binuclear hydrazone-based Cd(II) complex is a strong pro-apoptotic inducer with significant activity against 2D and 3D pancreatic cancer stem cells" in Journal of Inorganic Biochemistry, 190 (2019):45-66,
https://doi.org/10.1016/j.jinorgbio.2018.10.002 . .

TY  - JOUR
AU  - Božić, Aleksandra R.
AU  - Bjelogrlić, Snežana
AU  - Novaković, Irena
AU  - Filipović, Nenad
AU  - Petrović, Predrag M.
AU  - Marinković, Aleksandar D.
AU  - Todorović, Tamara R.
AU  - Cvijetić, Ilija N.
PY  - 2018
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4753
AB  - Due to the rise of microbial strains resistant to conventional therapies, there is an urgent need for finding the new antimicrobial chemotypes. Heterocyclic compounds such as thiocarbohydrazones (TCHs) are able to interact with many metalloenzymes essential for microbes, while sulfur atom increases lipophilicity which is generally positively correlated with potency. In this paper, we report antibacterial and antifungal activity of twenty-two TCHs toward eight bacterial and three fungal strains. Furthermore, three alignment independent 3D QSAR models based on descriptors derived from molecular interaction fields (MIFs) are developed in order to rationalize structure-activity relationships for activities of TCHs toward S. aureus, P. aeruginosa and C. albicans. Several structural fragments important for biological activity are recognized in each model, and structural modifications which could lead to increased potency are suggested. Designed structures will be synthesized accordingly and tested toward the same microbial strains in order to obtain more potent derivatives.
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Chemistryselect
T1  - Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models
EP  - 2221
IS  - 7
SP  - 2215
VL  - 3
DO  - 10.1002/slct.201702691
ER  - 

@article{
author = "Božić, Aleksandra R. and Bjelogrlić, Snežana and Novaković, Irena and Filipović, Nenad and Petrović, Predrag M. and Marinković, Aleksandar D. and Todorović, Tamara R. and Cvijetić, Ilija N.",
year = "2018",
abstract = "Due to the rise of microbial strains resistant to conventional therapies, there is an urgent need for finding the new antimicrobial chemotypes. Heterocyclic compounds such as thiocarbohydrazones (TCHs) are able to interact with many metalloenzymes essential for microbes, while sulfur atom increases lipophilicity which is generally positively correlated with potency. In this paper, we report antibacterial and antifungal activity of twenty-two TCHs toward eight bacterial and three fungal strains. Furthermore, three alignment independent 3D QSAR models based on descriptors derived from molecular interaction fields (MIFs) are developed in order to rationalize structure-activity relationships for activities of TCHs toward S. aureus, P. aeruginosa and C. albicans. Several structural fragments important for biological activity are recognized in each model, and structural modifications which could lead to increased potency are suggested. Designed structures will be synthesized accordingly and tested toward the same microbial strains in order to obtain more potent derivatives.",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Chemistryselect",
title = "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models",
pages = "2221-2215",
number = "7",
volume = "3",
doi = "10.1002/slct.201702691"
}

Božić, A. R., Bjelogrlić, S., Novaković, I., Filipović, N., Petrović, P. M., Marinković, A. D., Todorović, T. R.,& Cvijetić, I. N.. (2018). Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. in Chemistryselect
Wiley-V C H Verlag Gmbh, Weinheim., 3(7), 2215-2221.
https://doi.org/10.1002/slct.201702691

Božić AR, Bjelogrlić S, Novaković I, Filipović N, Petrović PM, Marinković AD, Todorović TR, Cvijetić IN. Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models. in Chemistryselect. 2018;3(7):2215-2221.
doi:10.1002/slct.201702691 .

Božić, Aleksandra R., Bjelogrlić, Snežana, Novaković, Irena, Filipović, Nenad, Petrović, Predrag M., Marinković, Aleksandar D., Todorović, Tamara R., Cvijetić, Ilija N., "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models" in Chemistryselect, 3, no. 7 (2018):2215-2221,
https://doi.org/10.1002/slct.201702691 . .

TY  - JOUR
AU  - Borges, Anabela
AU  - Simoes, Manuel
AU  - Todorović, Tamara R.
AU  - Filipović, Nenad
AU  - Garcia-Sosa, Alfonso T.
PY  - 2018
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4764
AB  - Pseudomonas aeruginosa is one of the most dreaded human pathogens, because of its intrinsic resistance to a number of commonly used antibiotics and ability to form sessile communities (biofilms). Innovative treatment strategies are required and that can rely on the attenuation of the pathogenicity and virulence traits. The interruption of the mechanisms of intercellular communication in bacteria (quorum sensing) is one of such promising strategies. A cobalt coordination compound (Co(HL)(2)) synthesized from (E)-2-(2-(pyridin-2-ylmethylene) hydrazinyl)-4-(p-tolyl) thiazole (HL) is reported herein for the first time to inhibit P. aeruginosa 3-oxo-C12-HSL-dependent QS system (LasI/LasR system) and underling phenotypes (biofilm formation and virulence factors). Its interactions with a possible target, the transcriptional activator protein complex LasR-3-oxo-C12-HSL, was studied by molecular modeling with the coordination compound ligand having stronger predicted interactions than those of co-crystallized ligand 3-oxo-C12-HSL, as well as known-binder furvina. Transition metal group 9 coordination compounds may be explored in antipathogenic/antibacterial drug design.
PB  - MDPI, BASEL
T2  - Molecules
T1  - Cobalt Complex with Thiazole-Based Ligand as New Pseudomonas aeruginosa Quorum Quencher, Biofilm Inhibitor and Virulence Attenuator
IS  - 6
VL  - 23
DO  - 10.3390/molecules23061385
ER  - 

@article{
author = "Borges, Anabela and Simoes, Manuel and Todorović, Tamara R. and Filipović, Nenad and Garcia-Sosa, Alfonso T.",
year = "2018",
abstract = "Pseudomonas aeruginosa is one of the most dreaded human pathogens, because of its intrinsic resistance to a number of commonly used antibiotics and ability to form sessile communities (biofilms). Innovative treatment strategies are required and that can rely on the attenuation of the pathogenicity and virulence traits. The interruption of the mechanisms of intercellular communication in bacteria (quorum sensing) is one of such promising strategies. A cobalt coordination compound (Co(HL)(2)) synthesized from (E)-2-(2-(pyridin-2-ylmethylene) hydrazinyl)-4-(p-tolyl) thiazole (HL) is reported herein for the first time to inhibit P. aeruginosa 3-oxo-C12-HSL-dependent QS system (LasI/LasR system) and underling phenotypes (biofilm formation and virulence factors). Its interactions with a possible target, the transcriptional activator protein complex LasR-3-oxo-C12-HSL, was studied by molecular modeling with the coordination compound ligand having stronger predicted interactions than those of co-crystallized ligand 3-oxo-C12-HSL, as well as known-binder furvina. Transition metal group 9 coordination compounds may be explored in antipathogenic/antibacterial drug design.",
publisher = "MDPI, BASEL",
journal = "Molecules",
title = "Cobalt Complex with Thiazole-Based Ligand as New Pseudomonas aeruginosa Quorum Quencher, Biofilm Inhibitor and Virulence Attenuator",
number = "6",
volume = "23",
doi = "10.3390/molecules23061385"
}

Borges, A., Simoes, M., Todorović, T. R., Filipović, N.,& Garcia-Sosa, A. T.. (2018). Cobalt Complex with Thiazole-Based Ligand as New Pseudomonas aeruginosa Quorum Quencher, Biofilm Inhibitor and Virulence Attenuator. in Molecules
MDPI, BASEL., 23(6).
https://doi.org/10.3390/molecules23061385

Borges A, Simoes M, Todorović TR, Filipović N, Garcia-Sosa AT. Cobalt Complex with Thiazole-Based Ligand as New Pseudomonas aeruginosa Quorum Quencher, Biofilm Inhibitor and Virulence Attenuator. in Molecules. 2018;23(6).
doi:10.3390/molecules23061385 .

Borges, Anabela, Simoes, Manuel, Todorović, Tamara R., Filipović, Nenad, Garcia-Sosa, Alfonso T., "Cobalt Complex with Thiazole-Based Ligand as New Pseudomonas aeruginosa Quorum Quencher, Biofilm Inhibitor and Virulence Attenuator" in Molecules, 23, no. 6 (2018),
https://doi.org/10.3390/molecules23061385 . .

TY  - JOUR
AU  - Elshaflu, Hana
AU  - Todorović, Tamara R.
AU  - Nikolić, Milan
AU  - Lolić, Aleksandar
AU  - Visnjevac, Aleksandar
AU  - Hagenow, Stefanie
AU  - Padron, Jose M.
AU  - Garcia-Sosa, Alfonso T.
AU  - Djordjević, Ivana S.
AU  - Grubisić, Sonja
AU  - Stark, Holger
AU  - Filipović, Nenad
PY  - 2018
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4773
AB  - The novel approach in the treatment of complex multifactorial diseases, such as neurodegenerative disorders and cancer, requires a development of efficient multi-targeting oriented drugs. Since oxidative stress significantly contributes to the pathogenesis of cancer and neurodegenerative disorders, potential drug candidates should possess good antioxidant properties Due to promising biological activities shown for structurally related (1,3-thiazol-2-yl)hydrazones, a focused library of 12 structurally related benzylidene-based (1,3-selenazol-2-yl)hydrazones was designed as potential multi-targeting compounds. Monoamine oxidases (MAO) A/B inhibition properties of this class of compounds have been investigated. Surprisingly, the p-nitrophenyl-substituted (1,3-selenazol-2-yl)hydrazone 4 showed MAO B inhibition in a nanomolar concentration range (IC50 = 73 nM). Excellent antioxidant properties were confirmed in a number of different in vitro assays. Antiproliferative activity screening on a panel of six human solid tumor cell lines showed that potencies of some of the investigated compounds was comparable or even better than that of the positive control 5-fluorouracil. In-silico calculations of ADME properties pointed to promising good pharmacokinetic profiles of investigated compounds. Docking studies suggest that some compounds, compared to positive controls, have the ability to strongly interact with targets relevant to cancer such as 5'-nucleotidase, and to neurodegenerative diseases such as the small conductance calcium-activated potassium channel protein 1, in addition to confirmation of inhibitory binding at MAO B.
PB  - Frontiers Media Sa, Lausanne
T2  - Frontiers in Chemistry
T1  - Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies
VL  - 6
DO  - 10.3389/fchem.2018.00247
ER  - 

@article{
author = "Elshaflu, Hana and Todorović, Tamara R. and Nikolić, Milan and Lolić, Aleksandar and Visnjevac, Aleksandar and Hagenow, Stefanie and Padron, Jose M. and Garcia-Sosa, Alfonso T. and Djordjević, Ivana S. and Grubisić, Sonja and Stark, Holger and Filipović, Nenad",
year = "2018",
abstract = "The novel approach in the treatment of complex multifactorial diseases, such as neurodegenerative disorders and cancer, requires a development of efficient multi-targeting oriented drugs. Since oxidative stress significantly contributes to the pathogenesis of cancer and neurodegenerative disorders, potential drug candidates should possess good antioxidant properties Due to promising biological activities shown for structurally related (1,3-thiazol-2-yl)hydrazones, a focused library of 12 structurally related benzylidene-based (1,3-selenazol-2-yl)hydrazones was designed as potential multi-targeting compounds. Monoamine oxidases (MAO) A/B inhibition properties of this class of compounds have been investigated. Surprisingly, the p-nitrophenyl-substituted (1,3-selenazol-2-yl)hydrazone 4 showed MAO B inhibition in a nanomolar concentration range (IC50 = 73 nM). Excellent antioxidant properties were confirmed in a number of different in vitro assays. Antiproliferative activity screening on a panel of six human solid tumor cell lines showed that potencies of some of the investigated compounds was comparable or even better than that of the positive control 5-fluorouracil. In-silico calculations of ADME properties pointed to promising good pharmacokinetic profiles of investigated compounds. Docking studies suggest that some compounds, compared to positive controls, have the ability to strongly interact with targets relevant to cancer such as 5'-nucleotidase, and to neurodegenerative diseases such as the small conductance calcium-activated potassium channel protein 1, in addition to confirmation of inhibitory binding at MAO B.",
publisher = "Frontiers Media Sa, Lausanne",
journal = "Frontiers in Chemistry",
title = "Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies",
volume = "6",
doi = "10.3389/fchem.2018.00247"
}

Elshaflu, H., Todorović, T. R., Nikolić, M., Lolić, A., Visnjevac, A., Hagenow, S., Padron, J. M., Garcia-Sosa, A. T., Djordjević, I. S., Grubisić, S., Stark, H.,& Filipović, N.. (2018). Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies. in Frontiers in Chemistry
Frontiers Media Sa, Lausanne., 6.
https://doi.org/10.3389/fchem.2018.00247

Elshaflu H, Todorović TR, Nikolić M, Lolić A, Visnjevac A, Hagenow S, Padron JM, Garcia-Sosa AT, Djordjević IS, Grubisić S, Stark H, Filipović N. Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies. in Frontiers in Chemistry. 2018;6.
doi:10.3389/fchem.2018.00247 .

Elshaflu, Hana, Todorović, Tamara R., Nikolić, Milan, Lolić, Aleksandar, Visnjevac, Aleksandar, Hagenow, Stefanie, Padron, Jose M., Garcia-Sosa, Alfonso T., Djordjević, Ivana S., Grubisić, Sonja, Stark, Holger, Filipović, Nenad, "Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies" in Frontiers in Chemistry, 6 (2018),
https://doi.org/10.3389/fchem.2018.00247 . .

TY  - JOUR
AU  - Todorović, Tamara R.
AU  - Vukasinović, Jelena
AU  - Portalone, Gustavo
AU  - Suleiman, Sherif
AU  - Gligorijević, Nevenka
AU  - Bjelogrlić, Snežana
AU  - Jovanović, Katarina
AU  - Radulović, Siniša
AU  - Andjelković, Katarina
AU  - Cassar, Analisse
AU  - Filipović, Nenad
AU  - Schembri-Wismayer, Pierre
PY  - 2017
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4388
AB  - Cobalt complexes with semi-and thiosemicarbazones of 8-quinolinecarboxaldehyde have been synthesized and characterized by X-ray diffraction analysis. These novel complexes and a previously synthesized cobalt complex with a selenium-based selenosemicarbazone ligand showed myeloid differentiation activity on all trans retinoic acid resistant HL-60 acute myeloid leukaemia cells. They also showed varying levels of cytotoxicity on five human tumor cell lines: cervix carcinoma cells (HeLa), lung adenocarcinoma cells (A549), colorectal adenocarcinoma cells (LS-174), breast carcinoma cells (MDA-MB-361), and chronic myeloid leukaemia (K562) as well as one normal human cell line: fetal lung fibroblast cells (MRC-5). Leukaemia differentiation was most strongly induced by a metal-free oxygen ligand and the selenium ligand, whilst the latter and the cobalt(II) complex with an oxygen ligand showed the strongest dose-dependent cytotoxic activity. In four out of five investigated tumor cell lines, it was of the same order of magnitude as cisplatin. These best compounds, however, had lower toxicity on non-transformed MRC-5 cells than cisplatin.
PB  - Royal Soc Chemistry, Cambridge
T2  - Medchemcomm
T1  - (Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines
EP  - 111
IS  - 1
SP  - 103
VL  - 8
DO  - 10.1039/c6md00501b
ER  - 

@article{
author = "Todorović, Tamara R. and Vukasinović, Jelena and Portalone, Gustavo and Suleiman, Sherif and Gligorijević, Nevenka and Bjelogrlić, Snežana and Jovanović, Katarina and Radulović, Siniša and Andjelković, Katarina and Cassar, Analisse and Filipović, Nenad and Schembri-Wismayer, Pierre",
year = "2017",
abstract = "Cobalt complexes with semi-and thiosemicarbazones of 8-quinolinecarboxaldehyde have been synthesized and characterized by X-ray diffraction analysis. These novel complexes and a previously synthesized cobalt complex with a selenium-based selenosemicarbazone ligand showed myeloid differentiation activity on all trans retinoic acid resistant HL-60 acute myeloid leukaemia cells. They also showed varying levels of cytotoxicity on five human tumor cell lines: cervix carcinoma cells (HeLa), lung adenocarcinoma cells (A549), colorectal adenocarcinoma cells (LS-174), breast carcinoma cells (MDA-MB-361), and chronic myeloid leukaemia (K562) as well as one normal human cell line: fetal lung fibroblast cells (MRC-5). Leukaemia differentiation was most strongly induced by a metal-free oxygen ligand and the selenium ligand, whilst the latter and the cobalt(II) complex with an oxygen ligand showed the strongest dose-dependent cytotoxic activity. In four out of five investigated tumor cell lines, it was of the same order of magnitude as cisplatin. These best compounds, however, had lower toxicity on non-transformed MRC-5 cells than cisplatin.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Medchemcomm",
title = "(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines",
pages = "111-103",
number = "1",
volume = "8",
doi = "10.1039/c6md00501b"
}

Todorović, T. R., Vukasinović, J., Portalone, G., Suleiman, S., Gligorijević, N., Bjelogrlić, S., Jovanović, K., Radulović, S., Andjelković, K., Cassar, A., Filipović, N.,& Schembri-Wismayer, P.. (2017). (Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines. in Medchemcomm
Royal Soc Chemistry, Cambridge., 8(1), 103-111.
https://doi.org/10.1039/c6md00501b

Todorović TR, Vukasinović J, Portalone G, Suleiman S, Gligorijević N, Bjelogrlić S, Jovanović K, Radulović S, Andjelković K, Cassar A, Filipović N, Schembri-Wismayer P. (Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines. in Medchemcomm. 2017;8(1):103-111.
doi:10.1039/c6md00501b .

Todorović, Tamara R., Vukasinović, Jelena, Portalone, Gustavo, Suleiman, Sherif, Gligorijević, Nevenka, Bjelogrlić, Snežana, Jovanović, Katarina, Radulović, Siniša, Andjelković, Katarina, Cassar, Analisse, Filipović, Nenad, Schembri-Wismayer, Pierre, "(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines" in Medchemcomm, 8, no. 1 (2017):103-111,
https://doi.org/10.1039/c6md00501b . .

TY  - CONF
AU  - Vinjevac, Aleksandar
AU  - Araskov, Jovana
AU  - Filipović, Nenad
AU  - Todorović, Tamara
PY  - 2017
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4376
PB  - Int Union Crystallography, Chester
C3  - Acta Crystallographica A-Foundation and Advances
T1  - Zn(II) complexes of (1,3-thiazol-2-yl)hydrazones as potential pharmacological agents
EP  - C415
SP  - C415
VL  - 73
DO  - 10.1107/S2053273317091586
ER  - 

@conference{
author = "Vinjevac, Aleksandar and Araskov, Jovana and Filipović, Nenad and Todorović, Tamara",
year = "2017",
publisher = "Int Union Crystallography, Chester",
journal = "Acta Crystallographica A-Foundation and Advances",
title = "Zn(II) complexes of (1,3-thiazol-2-yl)hydrazones as potential pharmacological agents",
pages = "C415-C415",
volume = "73",
doi = "10.1107/S2053273317091586"
}

Vinjevac, A., Araskov, J., Filipović, N.,& Todorović, T.. (2017). Zn(II) complexes of (1,3-thiazol-2-yl)hydrazones as potential pharmacological agents. in Acta Crystallographica A-Foundation and Advances
Int Union Crystallography, Chester., 73, C415-C415.
https://doi.org/10.1107/S2053273317091586

Vinjevac A, Araskov J, Filipović N, Todorović T. Zn(II) complexes of (1,3-thiazol-2-yl)hydrazones as potential pharmacological agents. in Acta Crystallographica A-Foundation and Advances. 2017;73:C415-C415.
doi:10.1107/S2053273317091586 .

Vinjevac, Aleksandar, Araskov, Jovana, Filipović, Nenad, Todorović, Tamara, "Zn(II) complexes of (1,3-thiazol-2-yl)hydrazones as potential pharmacological agents" in Acta Crystallographica A-Foundation and Advances, 73 (2017):C415-C415,
https://doi.org/10.1107/S2053273317091586 . .