The impact of some phenolic compounds on serum acetylcholinesterase: kinetic analysis of an enzyme/inhibitor interaction and molecular docking study


JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, vol.39, no.17, pp.6515-6523, 2021 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 39 Issue: 17
  • Publication Date: 2021
  • Doi Number: 10.1080/07391102.2020.1801509
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Chemical Abstracts Core, EMBASE, MEDLINE
  • Page Numbers: pp.6515-6523
  • Keywords: acetylcholinesterase inhibitor, Alzheimer disease, molecular docking, phenolic compounds
  • Eskisehir Osmangazi University Affiliated: No


In the treatment of Alzheimer's disease (AD), it is important to develop alternative cholinesterase inhibitors with antioxidant properties that will reduce acetylcholine deficiency and free radical formation. The aim of this study was to investigate the effect of hydroquinone, 4-hydroxybenzoic acid, 3,5-dihydroxybenzoic acid, caffeic acid, vanillic acid and chlorogenic acid against acetylcholinesterase (AChE), partially purified from serum. Binding of compounds with effective inhibitory potential to the AChE active site as competitive was illuminated by molecular docking. Hydroquinone, chlorogenic acid and 4-hydroxybenzoic acid have been found to have higher inhibitory potential than others against the AChE.IC(50)andK(I)values of the phenolic compounds against AChE were found in the range of 0.26 +/- 0.01-36.34 +/- 2.72 mM and 0.72 +/- 0.00-29.23 +/- 2.62 mM, respectively. The effectiveness of the compounds has been associated with its structure. Consequently, the phenolic compounds, which have AChE inhibitory potential and antioxidant properties, can be considered as alternative drugs in the treatment of AD. Communicated by Ramaswamy H. Sarma