Yazarlar |
Doç. Dr. Mustafa SERTÇELİK
Kafkas Üniversitesi, Türkiye |
Doç. Dr. Füreya Elif ÖZTÜRKKAN
Kafkas Üniversitesi, Türkiye |
Parham Taslimi
Türkiye |
Murat Durman
Türkiye |
Mücahit Özdemir
Türkiye |
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye |
Bahattin Yalçın
Marmara Üniversitesi, Türkiye |
Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye |
Özet |
A novel Ni(II) complex containing 2-fluorobenzoate and 3-hydroxypyridine ligands was synthesized and characterized using elemental analysis, Fourier transform infrared (FT-IR) spectroscopy and single-crystal X-ray diffraction. FT-IR peaks show that the carboxylate group from 2-fluorobenzoate has a monodentate coordination mode. The coordination environment around the Ni2+ ion is of distorted octahedral geometry. The octahedral geometry consists of a total of four oxygen atoms from two carboxylate groups of two fluorobenzoate anions, two water molecules and two nitrogen atoms from two 3-hydroxypyridine ligands. The complex shows excellent inhibitory effects against some metabolic enzymes. Ki values for the complex were found as 108.17 ± 25.63, 124.88 ± 36.20, 28.11 ± 2.87, 20.95 ± 5.65 and 32.63 ± 9.67 μM against human carbonic anhydrase I, human carbonic anhydrase II, α-glycosidase, acetylcholinesterase and butyrylcholinesterase, respectively. In addition, geometry optimization and vibration frequencies were calculated, and single point energy was studied based on optimization. Experimental and theoretical data were compared. The B3LYP/6-31G(d,p) basis set was used for all calculations. |
Anahtar Kelimeler |
2-fluorobenzoate | 3-hydroxypyridine | DFT calculation | metabolic enzyme inhibition | XRD |
Makale Türü | Özgün Makale |
Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
Dergi Adı | APPLIED ORGANOMETALLIC CHEMISTRY |
Dergi ISSN | 0268-2605 |
Dergi Tarandığı Indeksler | SCI-Expanded |
Dergi Grubu | Q1 |
Makale Dili | İngilizce |
Basım Tarihi | 09-2020 |
Cilt No | 34 |
Sayı | 9 |
Sayfalar | 1 / 10 |
Doi Numarası | 10.1002/aoc.5802 |
Makale Linki | https://onlinelibrary.wiley.com/doi/abs/10.1002/aoc.5802 |