Open AccessGC-MS, Molecular Docking and In Vitro Studies of Methanolic Extract of Leaves of Jatropha gossypiifolia as Potent Anti-alzheimer’s
Author(s) -
S Babyvanitha,
B. Jaykar
Publication year - 2021
Publication title -
international journal of pharmaceutical sciences review and research
Language(s) - English
Resource type - Journals
ISSN - 0976-044X
DOI - 10.47583/ijpsrr.2021.v68i01.034
Subject(s) - chemistry , phytochemical , jatropha , docking (animal) , autodock , stereochemistry , in silico , traditional medicine , organic chemistry , biochemistry , medicine , nursing , biodiesel , gene , catalysis
The aim of this study is to explore anti-alzheimer’s effect of phytocompounds identified from methanolic extract leaves of Jatropha gossypiifolia using GC-MS and Molecular docking studies. Acetylcholinesterase inhibitors improved cholinergic deficit in the brain which are beneficial in the treatment of Alzheimer’s disease. In this research work we studied the AchE antagonistic effect ofphytocompounds identified from Jatropha gossypiifolia using an in silico approach. This work reported the phytochemical analysis ofthe methanolic extract of the leaves of Jatropha gossypiifolia. Eleven compounds were revealed through GC-MS analysis and screened using GC-MS QP2010PLUS, Shimadzu, Japan. Interpretation on mass spectrum of GC-MS was done using the database of National Institute Standard and Technology (NIST). 1,1,5-Trimethyl-1, 2-dihydro naphthalene, Methyl 10,12-pentacosadiynoate, Dodecanoic acid, methyl ester, Methyl tetradecanoate, 3,7,11,15-Tetramethyl-2-hexadecen-ol, Cyclopropanepentanoic acid 2-undecyl, methyl ester-trans, N-hexadecanoic acid, 9,12,15- Octadecatrienoic acid, Heptadecanoic acid, 16-methyl methyl ester, 7,8 Epoxylanostan 11-ol, 3-acetoxy, Cis,Cis, Cis – 7,10,13 – Hexadecatrienal compounds identified from methanolic leaf extract of Jatropha gossypiifolia using GC-MS analysis. Molecular docking of Jatropha gossypiifolia on human AchE protein was determined by using AutoDock Vina software and compared with Donepezil a known reversible acetylcholinesterase inhibitor. The interactions of Human Acetylcholinesterase-ligand conformations, including hydrogen bonds and various other bonds were analyzed using BIOVIA Discovery Studio 2016. Cis, Cis, Cis – 7,10,13-Hexadecatrienal existing phytochemicals from the leaves of Jatropha gossypiifolia had the highest fitness score of -7.6 kcal/mol comparable with donepezil having -9.2 kcal/mol and hence could be a potent antialzheimer’s drugs.