Open Accessin silico Anti-Cholinestarase Activity of Flavonoids: A Computational Approach
Author(s) -
Niraj Kumar Singh,
Somdutt Mujwar,
Debapriya Garabadu
Publication year - 2019
Publication title -
asian journal of chemistry/asian journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.145
H-Index - 34
eISSN - 0975-427X
pISSN - 0970-7077
DOI - 10.14233/ajchem.2019.22153
Subject(s) - chemistry , autodock , cholinesterase , flavonoid , enzyme , docking (animal) , in silico , biochemistry , acetylcholine , stereochemistry , pharmacology , antioxidant , medicine , nursing , gene
In the present study, a computational approach has been designed to evaluate the potential anti-cholinesterase activity of derivatives of flavonoids. Molecular docking studies is performed for the 9 flavonoids against the human acetylcholine (ACh) enzyme to evaluate their binding affinity for having anti-alzheimer activity. All the 9 flavonoid compounds exhibited strong binding affinity that promises potent inhibition of human acetylcholine enzyme. Potential binding affinity of all the flavonoids against human acetylcholine enzyme confirms their possible mechanism of action by using AutoDock based molecular docking simulation technique. Thus, these flavonoid compounds could be presumed to be potential anti-cholinesterase drugs.