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Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide

A Schiff base of 3-acetylpyridine with semicarbazide as well as the corresponding tetrahedral Zn(II) complex were synthesized and characterized by X-ray crystal structure analysis and spectroscopic methods. It is interesting to note that the ligand coordinated as a monodentate although there are several donor atoms in it. Computational studies showed that such structure is more stable than the hypothetical structure with one ligand bound as a bidentate. The complex exibited moderate antibacterial, antifungal and cytotoxic activities while the ligand was mostly inactive. The complex strongly induced formation of reactive oxygen species in tumor cell lines. It also influenced cell cycle progression in tumor cell lines, and induced autophagy. The latter effect is, at least in part, a protective one

his work was supported by the Ministry of Education and Science of the Republic of Serbia (Grant OI 172055 and III41025). We thank the Slovenian Research Agency (ARRS) thrugh program P-0175 for financial support and EN-FIST Centre of Excellence, Dunajska 156, 1000 Ljubljana, Slovenia, for using SuperNova diffractometer. The following organizations are thanked for financial support: the Ministerio de Ciencia e Innovacion (MICINN, project number CTQ2011-25086/BQU), and the DIUE of the Generalitat de Catalunya (project number 2009SGR528). Financial support from MICINN (Ministry of Science and Innovation, Spain) and the FEDER fund (European Fund for Regional Development) was provided by grant UNGI08-4E-003. Excellent service by the Centre de Serveis Cientifics i Academics de Catalunya (CESCA) is gratefully acknowledged

© Inorganica Chimica Acta, 2013, vol. 404, p. 5-12

Elsevier

Manager: Ministerio de Ciencia e Innovación (Espanya)
Author: Čobeljić, Božidar
Pevec, Andrej
Turel, Iztok
Swart, Marcel
Mitić, Dragana
Milenković, Marina
Marković, Ivanka
Jovanović, Maja
Sladić, Dušan
Jeremić, Marko
Andjelković, Katarina
Date: 2013
Abstract: A Schiff base of 3-acetylpyridine with semicarbazide as well as the corresponding tetrahedral Zn(II) complex were synthesized and characterized by X-ray crystal structure analysis and spectroscopic methods. It is interesting to note that the ligand coordinated as a monodentate although there are several donor atoms in it. Computational studies showed that such structure is more stable than the hypothetical structure with one ligand bound as a bidentate. The complex exibited moderate antibacterial, antifungal and cytotoxic activities while the ligand was mostly inactive. The complex strongly induced formation of reactive oxygen species in tumor cell lines. It also influenced cell cycle progression in tumor cell lines, and induced autophagy. The latter effect is, at least in part, a protective one
his work was supported by the Ministry of Education and Science of the Republic of Serbia (Grant OI 172055 and III41025). We thank the Slovenian Research Agency (ARRS) thrugh program P-0175 for financial support and EN-FIST Centre of Excellence, Dunajska 156, 1000 Ljubljana, Slovenia, for using SuperNova diffractometer. The following organizations are thanked for financial support: the Ministerio de Ciencia e Innovacion (MICINN, project number CTQ2011-25086/BQU), and the DIUE of the Generalitat de Catalunya (project number 2009SGR528). Financial support from MICINN (Ministry of Science and Innovation, Spain) and the FEDER fund (European Fund for Regional Development) was provided by grant UNGI08-4E-003. Excellent service by the Centre de Serveis Cientifics i Academics de Catalunya (CESCA) is gratefully acknowledged
Format: application/pdf
Citation: 017582
ISSN: 0020-1693
Document access: http://hdl.handle.net/10256/11436
Language: eng
Publisher: Elsevier
Collection: MICINN/PN 2012-2014/CTQ2011-25086
AGAUR/2009-2014/2009 SGR-528
Reproducció digital del document publicat a: http://dx.doi.org/10.1016/j.ica.2013.04.017
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Is part of: © Inorganica Chimica Acta, 2013, vol. 404, p. 5-12
Rights: Tots els drets reservats
Subject: Funcional de densitat, Teoria del
Density functionals
Coure -- Compostos
Copper compounds
Title: Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide
Type: info:eu-repo/semantics/article
Repository: DUGiDocs

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