Molecular docking guided screening of phenolic compounds from ginkgo biloba as multi-potent Anti Alzheimer's agents

Abstract

Alzheimer's disease (AD) is an ultimately fatal degenerative brain disorder that has an increasingly large burden on health and social care systems. There are only five drugs for AD on the market but their adverse effect, toxicity and limited targets in AD pathology limits their use. Therefore, it is crucial to find an effective compound to combat AD. Various medicinal plants have been used to treat diseases for thousands of years and screening herbal remedies is a way to develop new drugs. Ginkgo biloba was reported having potential in the treatment of AD and phenolic compounds were reported beneficial in treatment of AD. Based on this we had selected some phenolic compounds found in G. biloba for molecular docking studies to investigate the binding interactions between these phenolic compounds and eight anti-Alzheimer's drug targets (Nmethyl-D-aspartate glutamate receptor, nitric oxide synthase, beta secretase 1, tumor necrosis factor alpha, mono amine oxidase A, mono amine oxidase B and butylcholine esterase). Amongst the compounds tested in silico, catechin and ginkgolic acid displayed appreciable docking interactions with five different targets of AD. Most of these compounds showed good pharmacokinetic properties that make them potentially promising drug candidates for the treatment of AD. � 2020 Plant Archives. All rights reserved.