Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors

ALPAN A. S. , Parlar S. , Carlino L., Tarikogullari A. H. , ALPTÜZÜN V. , GÜNEŞ H. S.

BIOORGANIC & MEDICINAL CHEMISTRY, vol.21, no.17, pp.4928-4937, 2013 (Journal Indexed in SCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 21 Issue: 17
  • Publication Date: 2013
  • Doi Number: 10.1016/j.bmc.2013.06.065
  • Page Numbers: pp.4928-4937


A series of N-(2-[4-(1H-benzimidazole-2-yl)phenoxy]ethyl}substituted amine derivatives were designed to assess cholinesterase inhibitor activities. Acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitor activities were evaluated in vitro by using Ellman's method. It was discovered that most of the compounds displayed AChE and/or BuChE inhibitor activity and few compounds were selective against AChE/BuChE. Compound 3c and 3e were the most active compounds in the series against eeAChE and hAChE, respectively. Molecular docking studies and molecular dynamics simulations were also carried out. (C) 2013 Elsevier Ltd. All rights reserved.