in silico and in vitro approach of senna alata methanolic leaf extract as potent anti-alzheimer’s
S Babyvanitha, B Jaykar
This research work explores the anti-alzheimer’s effect of phytocompounds identified from methanolic leaf extract of Senna alata using GC-MS analysis 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 of phytocompounds identified from Senna alata using an in silico approach. This work reported the phytochemical analysis of the methanolic extract of the leaves of Senna alata. Eight 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). Molecular docking of Senna alata on human AchE protein was determined by using Auto Dock 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. Docking studies revealed that 9-Octadecenoic acid (2-phenyl-1,3-dioxolan-4-yl) methy lester, cis- (-7.7), Heptadecanoic acid 16- methyl acid methyl ester(7.0) existing phytochemicals from the leaves of Senna alata had the highest fitness score of -7.7 and -7.0 kcal/mol comparable with donepezil having -9.2 kcal/mol and hence could be a potent antialzheimer’s drugs. Senna alata leaf extract and its compounds 9-Octadecenoic acid (2-phenyl-1, 3-dioxolan-4-yl) methylester, cis-, Heptadecanoic acid 16- methyl acid methyl ester have significant antialzheimer’s activity against AchE. The molecular docking interaction of an in-silico data demonstrated that 9-Octadecenoic acid (2-phenyl-1,3-dioxolan-4-yl) methylester, Heptadecanoic acid 16- methyl acid methyl ester has more specificity towards the AchE binding site and could be a potent antialzheimer’s compound.