Synthesis, molecular modeling studies, ADME prediction of arachidonic acid carbamate derivatives, and evaluation of their acetylcholinesterase activity

• DOI: 10.1002/ddr.21621
• Publication Date: 2019-11-23T12:58:40Z
• Authors: Tugce N. Kalin; Deryanur Kilic; Fatma Arslan; Ozlem Colak; Aliye Altundas
• Keywords: ADME; Carbamate; Anandamide; Molecular model; Docking (animal)

Abstract In this work, a series of novel anandamide units containing carbamate were designed and synthesized. All the derivatives evaluated in vitro for their inhibitory potential against electric eel acetylcholinesterase enzyme (AChE) showed reversible inhibitions. The compounds 7a , 7d 7e 7f are mixed inhibitors AChE, while 7b 7c 7g uncompetitive ( K i range 0.93–8.86 μM). kinetic studies revealed that inhibit considerably AChE activity. Molecular docking analyses made to evaluate binding type interactions synthesized ligand‐binding site hAChE. It was observed results parallel with results. adsorption, distribution, metabolism, excretion properties computed compounds, found within acceptable range. This study suggests identified as may be useful lead treatment Alzheimer's disease.