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  - 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 . .