Evaluation of anti-cancer and anti-enzyme activities of imidazole derivative molecules with theoretical calculations
Yazarlar (7)
Dr. Öğr. Üyesi Aslıhan Hatun ÇAÇAN
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Erciyes Üniversitesi, Türkiye
Cumhuriyet Üniversitesi, Türkiye
Bartın Üniversitesi, Türkiye
Prof. Dr. Ercan ÇAÇAN
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Erciyes Üniversitesi, Türkiye
Cumhuriyet Üniversitesi, Türkiye
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale |
| Dergi Adı | Journal of Molecular Structure |
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q2 |
| Makale Dili | İngilizce |
| Basım Tarihi | 12-2025 |
| Cilt No | 1347 |
| Sayı | 1 |
| DOI Numarası | 10.1016/j.molstruc.2025.143264 |
| Makale Linki | https://doi.org/10.1016/j.molstruc.2025.143264 |
| Özet |
| Nitrogen-containing heterocycles, known for their biological activity, were synthesized as four novel imidazole-based compounds via the reaction of guanyl hydrazones with 2-bromoacetyl naphthalene. The aim of this study was to synthesize and characterize these compounds and evaluate their potential as cholinesterase inhibitors and anticancer agents. Structural elucidation was performed using ¹H NMR, ¹³C NMR, FTIR, and MS. All compounds exhibited strong AChE and BChE inhibitory activities, with Ki values ranging from 131.44 to 415.54 nM (AChE) and 95.74 to 154.62 nM (BChE). IC₅₀ values confirmed potent inhibition. MTT assays demonstrated dose-dependent antiproliferative effects, with greater cytotoxicity observed in A2780 ovarian cancer cells than in MIA PaCa-2 pancreatic cells. In silico studies, including Gaussian (B3LYP, HF, M062X/6-31++G(d,p)), molecular docking, and ADME/T analyses, supported the pharmacological potential of these compounds. These findings highlight their promise as candidates for further development in cholinesterase inhibition and cancer therapy. |
| Anahtar Kelimeler |
| Anti-proliferative activity | Enzyme inhibition | Guanyl hydrazone | In silico analyses |
Science Direct
Evaluation of anti-cancer and anti-enzyme activities of imidazole derivative molecules with theoretical calculations
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| SCOPUS | 2 |