Development of new donepezil analogs: synthesis, biological screening and in silico study rational

• DOI: 10.1007/s00044-022-02941-8
• Publication Date: 2022-08-04T12:02:45Z
• Authors: Zeinab Mahmoud; Hadeer S. Sayed; Lamia W. Mohamed; Khaled O. Mohamed
• Keywords: Docking (animal)

Abstract Fifteen new benzothiophene-based compounds were designed, synthesized, and evaluated as potential anti-Alzheimer agents. Most of the synthesized exhibited remarkable AChE inhibitory activity effectively inhibited self-mediated β-amyloid protein in vitro. Compound 3g (IC 50 = 72.488 ± 3.69 μM) showed a significant effect exceeding that donepezil 87.414 4.46 μM). Furthermore, compound 3j 0.498 0.02 best comparable to 0.404 0.03 The vivo evaluation promising ( ) confirmed memory improvement scopolamine-induced impairment model mice. molecular docking simulation Torpedo californica- Tc AChE) active site good agreement with obtained screening results. silico ADMET other physicochemical parameters also reported.