| Yazarlar (10) |
Doç. Dr. Hilal MEDETALİBEYOĞLU
Kafkas Üniversitesi, Türkiye |
Fikret Türkan
Türkiye |
Doç. Dr. Sevda MANAP
Kafkas Üniversitesi, Türkiye |
|
Ercan Bursal
Türkiye |
Doç. Dr. Murat BEYTUR
Kafkas Üniversitesi, Türkiye |
|
Abdülmelik Aras
Iğdır Üniversitesi, Türkiye |
Doç. Dr. Onur AKYILDIRIM
Kafkas Üniversitesi, Türkiye |
Doç. Dr. Gül KOTAN
Kafkas Üniversitesi, Türkiye |
|
Özlem Gürsoy Kol
Kafkas Üniversitesi, Türkiye |
Prof. Dr. Haydar YÜKSEK
Kafkas Üniversitesi, Türkiye |
| Özet |
| In this study, a series of novel Schiff bases (4a-4h) containing 1,2,4-triazole structure were synthesized through a condensation reaction of 3-alkyl(aryl)-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-ones with 3-(4-methylbenzenesulfonyloxy)-benzaldehyde. The structures of 3-alkyl(aryl)-4-[3-(4-methylsulfonyloxy)-benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-ones (4a-h) were determined through a range of spectroscopic techniques (FT-IR, 1H NMR, 13C NMR, and elemental analysis). In addition, enzyme inhibitory properties of the newly synthesized Schiff bases were determined against acetylcholinesterase (AChE). Their Ki values were calculated in the range of 0.70 ± 0.07–8.65 ± 5.6 µM. Besides, their IC50 values were calculated in the range of 0.43–3.87 µM. Finally, in silico molecular docking interactions of the compounds with AChE target enzyme (PDB ID:4EY7) were evaluated using Chimera and AutoDock Vina softwares. The lowest binding energy levels (-12.0 kcal/mol) of the compounds 4e and 4g with AChE target enzyme were verified the best binding affinities and molecular interactions. Communicated by Ramaswamy H. Sarma. |
| Anahtar Kelimeler |
| 1,2,4-Triazol-5-one | acetylcholinesterase | docking | enzyme inhibition | Schiff base |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Journal of Biomolecular Structure and Dynamics |
| Dergi ISSN | 0739-1102 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q1 |
| Makale Dili | Türkçe |
| Basım Tarihi | 04-2023 |
| Cilt No | 41 |
| Sayı | 10 |
| Sayfalar | 4286 / 4294 |
| Doi Numarası | 10.1080/07391102.2022.2066021 |
| Makale Linki | http://dx.doi.org/10.1080/07391102.2022.2066021 |
| Atıf Sayıları | |
| SCOPUS | 13 |
| Google Scholar | 18 |
