| Yazarlar |
Doç. Dr. Turgay TUNÇ
Ahi Evran Üniversitesi, Türkiye |
Yasemin Koç
Mustafa Kemal Üniversitesi, Türkiye |
|
Leyla Açık
Gazi Üniversitesi, Türkiye |
|
Mehmet Sayım Karacan
Gazi Üniversitesi, Türkiye |
|
Nurcan Karacan
Gazi Üniversitesi, Türkiye |
| 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, QSAR, Glutathione reductase inhibitors, DNA cleavage activity antimicrobial activity |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Dergi ISSN | 1386-1425 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Makale Dili | İngilizce |
| Basım Tarihi | 02-2015 |
| Cilt No | 136 |
| Sayfalar | 1418 / 1427 |
| Doi Numarası | 10.1016/j.saa.2014.10.030 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S1386142514015273 |
| Atıf Sayıları | |
| WoS | 14 |
| SCOPUS | 12 |
| Google Scholar | 19 |
