Synthesis and acetylcholinesterase enzyme inhibitory effects of some novel 4,5-Dihydro-1H-1,2,4-triazol-5-one derivatives; an in vitro and in silico study
Yazarlar (10)
Doç. Dr. Hilal MEDETALİBEYOĞLU
Kafkas Üniversitesi, Türkiye
Fikret Türkan
Iğdır Üniversitesi, Türkiye
Doç. Dr. Sevda MANAP
Kafkas Üniversitesi, Türkiye
Ercan Bursal
Muş Alparslan Üniversitesi, 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
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Biomolecular Structure and Dynamics (Q2) | ||
| Dergi ISSN | 0739-1102 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 04-2023 |
| Cilt / Sayı / Sayfa | 41 / 10 / 4286–4294 | DOI | 10.1080/07391102.2022.2066021 |
| Makale Linki | http://dx.doi.org/10.1080/07391102.2022.2066021 | ||
| 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 |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| SCOPUS | 23 |
| Google Scholar | 27 |