DNA cleavage antimicrobial studies and a DFT based QSAR study of new antimony III complexes as glutathione reductase inhibitor
Yazarlar (5)
Doç. Dr. Turgay TUNÇ
Kırşehir Ahi Evran Üniversitesi, Türkiye
Ankara Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
Gazi Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy | ||
| Dergi ISSN | 1386-1425 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2015 |
| Cilt / Sayı / Sayfa | 136 / 0 / 1418–1427 | DOI | 10.1016/j.saa.2014.10.030 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S1386142514015273 | ||
| Özet |
| New antimony(III) complexes, [Sb(2-aminopyridine)(2)Cl-3]), (1a), [Sn(2-aminopyridine)(2)Br-3] (1b), [Sb(5-methyl-2-aminopyridine)(2)Cl-3] (2a), [Sb(5-methyl-2-aminopyridine)(2)Br-3] (2b), [Sb(2-aminopyrimidine)(2)Cl-3] (3a), [Sb(2-aminopyrimidine)(2)Br-3] (3b), [Sb(4,6-dimethoxy-2-aminopyrimidine)(2)Cl-3] (4a), [Sb(4,6-dimethoxy-2-aminopyrimidine)(2)Br-3] (4b), [Sb(2-amino-1,3,5-triazine)(2)Cl-3] (5a), [Sb(2-amino-1,3,5-triazine)(2)Br-3] (5b), [Sb(2-guanidinobenzimidazole) Cl-3] (6a), [Sb(2-guanidinobenzimidazole)Br-3] (6b) [Sb(2- benzyl-2-thiopseudeourea)(2)Cl-3] (7a) and [Sb(2- benzyl-2-thiopseudeourea)(2)Br-3] (7b) were synthesized. Their structures were characterized by elemental analysis, molecular conductivity, FT-IR, H-1 NMR, LC-MS techniques. Glutathione reductase inhibitor activity, antimicrobial activity and DNA cleavage studies of the complexes were determined. The geometrical structures of the complexes were optimized by DFT/B3LYP method with LANL2DZ as basis set. Calculation results indicated that the equilibrium geometries of all complexes have square pyramidal shape. About 350 molecular descriptors (constitutional, topological, geometrical, electrostatic and quantum chemical parameters) of the complexes were calculated by DFT/B3LYP/LANL2DZ method with CODESSA software. Calculated molecular parameters were correlated to glutathione reductase inhibitory activity values (pIC(50)) of all complexes by Best Multi-Linear Regression (BMLR) method. Obtained two-parameter QSAR equation shows that increase in "maximum partial charge for a H atom" and decrease in HOMO-LUMO gap would be favorable for the glutathione reductase inhibitory activity. (C) 2014 Elsevier B.V. All rights reserved. |
| Anahtar Kelimeler |
| Antimony(III) complexes | DNA cleavage activity antimicrobial activity | Glutathione reductase inhibitors | QSAR |
Science Direct
DNA cleavage antimicrobial studies and a DFT based QSAR study of new antimony III complexes as glutathione reductase inhibitor
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| SCOPUS | 14 |
| Google Scholar | 19 |