Exploring Molecular Structural Requirement of Acetylcholinesterase Inhibitors Using Molecular Docking Study

Authors

  • Uttam A. More Associate professor Department of Pharmaceutical Chemistry, Shree Dhanvantary Pharmacy College, Gujarat http://orcid.org/0000-0002-6429-2685
  • Vidhi B Rahevar Department of Pharmaceutical Chemistry, Shree Dhanvantary Pharmacy College, Gujarat
  • Malleshappa N. Noolvi Department of Pharmaceutical Chemistry, Shree Dhanvantary Pharmacy College, Gujarat

Abstract

To explore the molecular structure requirement of acetyl-cholinesterase inhibitors, we used some flavonoid derivatives and calculated its binding interaction with acetylcholinesterase enzyme using 1EVE PDB. Flavonoids are one of the largest class and plant secondary metabolites known to have variety of biological activity for human wellbeing. Also reported its acetylcholinesterase inhibitory potency by various researchers. To know the properties and selection of flavonoids, we were used databases through Google Scholar, Elsevier, American Chemical Society, and PubMed. The in-silico inhibitory profile of selected flavonoids against AChE enzyme compared with well-known AChEI i.e. Donepezil. The molecular docking study suggested that flavonoids making interaction with CAS and PAS sites of AChE. In case of ADME profile compounds named Tangeretin and Daidzein showed a promising result.

 

Keywords: Flavonoids, AChEIs, Anti-Alzheimer agents, Molecular docking, ADME

Author Biographies

  • Uttam A. More, Associate professor Department of Pharmaceutical Chemistry, Shree Dhanvantary Pharmacy College, Gujarat
    Department of Pharmaceutical Chemistry
  • Vidhi B Rahevar, Department of Pharmaceutical Chemistry, Shree Dhanvantary Pharmacy College, Gujarat
    Department of Pharmaceutical Chemistry
  • Malleshappa N. Noolvi, Department of Pharmaceutical Chemistry, Shree Dhanvantary Pharmacy College, Gujarat
    Department of Pharmaceutical Chemistry
AChE Inhibitors

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Published

2019-01-17

Issue

Vol. 5 No. 3 (2018)

Section

Research Article

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