New Imidazole Derivatives: Synthesis, Spectroscopic Characterization, DFT, Biological Activities, and In Silico Study
Russian Journal of Physical Chemistry A, cilt.97, sa.13, ss.3037-3049, 2023 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 97 Sayı: 13
- Basım Tarihi: 2023
- Doi Numarası: 10.1134/s0036024423130162
- Dergi Adı: Russian Journal of Physical Chemistry A
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Aquatic Science & Fisheries Abstracts (ASFA), Chemical Abstracts Core, Compendex
- Sayfa Sayıları: ss.3037-3049
- Anahtar Kelimeler: acetylcholinesterase-antibacterial-leishmanicidal activities, DFT study, imidazole, in silico study, Schiff base
- Karadeniz Teknik Üniversitesi Adresli: Evet
Özet
Abstract: In this study, 4 new compounds containing imidazole ring and Schiff base were synthesized. The imidazole derivatives (1–4) were obtained from the condensation reaction of 3-(1H-imidazol-1-yl) propan-1-amine and 4-hydroxy benzaldehyde/4-bromo benzaldehyde/4-methoxy benzaldehyde/2,4-dichloro benzaldehyde. Structures of compounds 1–4 were characterized by Fourier transform infrared (FTIR), proton and carbon-13 nuclear magnetic resonance (1H- and 13C-NMR) spectroscopic methods. Theoretical studies of four compounds were carried out by DFT/B3LYP/6-311++G(d,p) method. The newly synthesized compounds were tested against the enzyme acetylcholinesterase, antibacterial and leishmanicidal activities. The docking study was performed for compounds 3 and 4 with high acetylcholinesterase inhibitory activity to determine possible interactions against human acetylcholinesterase by in silico analysis. [Figure not available: see fulltext.].