GC-MS and Molecular Docking Studies of Tecoma Stans Methanolic Leaf Extract As Potent Anti-Alzheimer’s

Abstract

The aim of this study was to explore the anti-alzhemier’s effect of phytocompounds identified from Tecoma stans using GC-MS analysis and molecular docking studies. Acetylcholinesterase antagonists are beneficial in the treatment of Alzheimer’s by improving the cholinergic deficit. The aim of the present study was to investigate the AchE antagonistic property of phytocompounds from Tecoma stans using an in silico approach. Molecular docking of Tecoma stans on human AchE protein was determined by Glide 5.6 (Schrodinger Inc) and compared with Donepezil, a known reversible acetyl cholinesterase inhibitor. Our present study reports the phytochemical analysis of the extract of the leaves of Tecoma stans. 25 compounds were revealed through GC-MS analysis and screened using Glide 5.6 (Schrodinger Inc) against AchE. Docking studies recommended that luteolin and quercetin, an existing phytochemical from the leaves of Tecoma stans had the highest fitness score of −14.95 kcal/mol, -14.58 kcal/mol and hence could be a potent antialzheimer’s drugs. Tecoma stans leaf extract and its compounds luteolin and quercetin have a significant antialzheimer’s against AchE. The molecular binding interaction of an in-silico data demonstrated that luteolin and quercetin has more specificity towards the AchE binding site and could be a potent antialzheimer’s compound.