TY  - JOUR
AU  - Jevtovic, Violeta
AU  - Alshammari, Njood
AU  - Latif, Salman
AU  - Alsukaibi, Abdulmohsen Khalaf Dhahi
AU  - Humaidi, Jamal
AU  - Alanazi, Tahani Y. A.
AU  - Abdulaziz, Fahad
AU  - Matalka, Samah I.
AU  - Pantelić, Nebojša Đ
AU  - Marković, Milica
AU  - Rakić, Aleksandra
AU  - Dimić, Dušan
PY  - 2022
UR  - http://www.ncbi.nlm.nih.gov/pubmed/36234859
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/6200
AB  - New Ni (II) and Cu (II) complexes with pyridoxal-semicarbazone were synthesized and their structures were solved by X-ray crystallography. This analysis showed the bis-ligand octahedral structure of [Ni(PLSC-H)2]·H2O and the dimer octahedral structure of [Cu(PLSC)(SO4)(H2O)]2·2H2O. Hirshfeld surface analysis was employed to determine the most important intermolecular interactions in the crystallographic structures. The structures of both complexes were further examined using density functional theory and natural bond orbital analysis. The photocatalytic decomposition of methylene blue in the presence of both compounds was investigated. Both compounds were active toward E. coli and S. aureus, with a minimum inhibition concentration similar to that of chloramphenicol. The obtained complexes led to the formation of free radical species, as was demonstrated in an experiment with dichlorofluorescein-diacetate. It is postulated that this is the mechanistic pathway of the antibacterial and photocatalytic activities. Cyclic voltammograms of the compounds showed the peaks of the reduction of metal ions. A molecular docking study showed that the Ni(II) complex exhibited promising activity towards Janus kinase (JAK), as a potential therapy for inflammatory diseases, cancers, and immunologic disorders.
T2  - Molecules (Basel, Switzerland)
T2  - Molecules (Basel, Switzerland)Molecules
T1  - Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone
IS  - 19
SP  - 6322
VL  - 27
DO  - 10.3390/molecules27196322
ER  - 

@article{
author = "Jevtovic, Violeta and Alshammari, Njood and Latif, Salman and Alsukaibi, Abdulmohsen Khalaf Dhahi and Humaidi, Jamal and Alanazi, Tahani Y. A. and Abdulaziz, Fahad and Matalka, Samah I. and Pantelić, Nebojša Đ and Marković, Milica and Rakić, Aleksandra and Dimić, Dušan",
year = "2022",
abstract = "New Ni (II) and Cu (II) complexes with pyridoxal-semicarbazone were synthesized and their structures were solved by X-ray crystallography. This analysis showed the bis-ligand octahedral structure of [Ni(PLSC-H)2]·H2O and the dimer octahedral structure of [Cu(PLSC)(SO4)(H2O)]2·2H2O. Hirshfeld surface analysis was employed to determine the most important intermolecular interactions in the crystallographic structures. The structures of both complexes were further examined using density functional theory and natural bond orbital analysis. The photocatalytic decomposition of methylene blue in the presence of both compounds was investigated. Both compounds were active toward E. coli and S. aureus, with a minimum inhibition concentration similar to that of chloramphenicol. The obtained complexes led to the formation of free radical species, as was demonstrated in an experiment with dichlorofluorescein-diacetate. It is postulated that this is the mechanistic pathway of the antibacterial and photocatalytic activities. Cyclic voltammograms of the compounds showed the peaks of the reduction of metal ions. A molecular docking study showed that the Ni(II) complex exhibited promising activity towards Janus kinase (JAK), as a potential therapy for inflammatory diseases, cancers, and immunologic disorders.",
journal = "Molecules (Basel, Switzerland), Molecules (Basel, Switzerland)Molecules",
title = "Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone",
number = "19",
pages = "6322",
volume = "27",
doi = "10.3390/molecules27196322"
}

Jevtovic, V., Alshammari, N., Latif, S., Alsukaibi, A. K. D., Humaidi, J., Alanazi, T. Y. A., Abdulaziz, F., Matalka, S. I., Pantelić, N. Đ., Marković, M., Rakić, A.,& Dimić, D.. (2022). Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone. in Molecules (Basel, Switzerland), 27(19), 6322.
https://doi.org/10.3390/molecules27196322

Jevtovic V, Alshammari N, Latif S, Alsukaibi AKD, Humaidi J, Alanazi TYA, Abdulaziz F, Matalka SI, Pantelić NĐ, Marković M, Rakić A, Dimić D. Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone. in Molecules (Basel, Switzerland). 2022;27(19):6322.
doi:10.3390/molecules27196322 .

Jevtovic, Violeta, Alshammari, Njood, Latif, Salman, Alsukaibi, Abdulmohsen Khalaf Dhahi, Humaidi, Jamal, Alanazi, Tahani Y. A., Abdulaziz, Fahad, Matalka, Samah I., Pantelić, Nebojša Đ, Marković, Milica, Rakić, Aleksandra, Dimić, Dušan, "Synthesis, Crystal Structure, Theoretical Calculations, Antibacterial Activity, Electrochemical Behavior, and Molecular Docking of Ni(II) and Cu(II) Complexes with Pyridoxal-Semicarbazone" in Molecules (Basel, Switzerland), 27, no. 19 (2022):6322,
https://doi.org/10.3390/molecules27196322 . .