Akademik Veri Yönetim Sistemi
Journal of the Iranian Chemical Society, cilt.20, sa.10, ss.2631-2642, 2023 (SCI-Expanded)
A series of thizaolidin-4-one derivatives (3a-o) was synthesized with excellent yield (94–97%) and the structures of the compounds were characterized with Fourier-transform Infrared (FTIR), Nuclear Magnetic Resonance (1H NMR—13C NMR), and High-resolution Mass Spectroscopy (HRMS). Novel compounds were tested towards some metabolic enzymes including acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and human carbonic anhydrase I-II (hCA I-II). All the synthetic analogs had potent inhibitory strength with Ki values in the range of 161.28 ± 16.91–943.13 ± 57.23nM against hCA-I and 151.77 ± 21.42–879.89 ± 57.70 nM against hCA-II in comparison to the standard acetazolamide Ki = 847.18 ± 75.41nM (for hCA-I) and Ki = 776.12 ± 70.62nM (for hCA-II). Most of the compounds showed potent inhibitory activity against AChE and BChE enzymes with IC50 value 823.71–984.32 nM, 321.88–879.02 nM, 2.61–83.08 nM compared to the standard compounds (928.85, 691.41, and 68.85 nM), respectively. Additionally, the molecular docking study was carried out for the most active compound for the determination of ligand-enzyme interactions. Also, the Absorption, Distribution, Metabolism, Excretion and Toxicity (ADME/T) properties of the molecules were calculated. Graphical abstract: [Figure not available: see fulltext.]