Abstract

                                The present research aimed to identify the bioactive compounds presentin two varieties of Mucuna pruriens var utilis (IIHR Selection 3 and ArkaDhanvantari) and their pharmaceutical importance evaluated throughphytochemical and in-silico screening. The phytochemical screening of theleaf and seed extracts revealed the presence of alkaloids, tannins, flavonoids,phenols, proteins, terpenoids, glycosides, steroids, saponins etc. A total of 43compounds were identified in the gas chromatography and mass spectrometry(GC-MS) analysis, and the identified biological active compounds were usedfor in-silico analysis. In-silico docking study revealed potent inhibition of theselected compounds: alpha-D-glucopyranoside, ethyl iso-allocholate andsitosterol against uncoupling protein 2 receptor (UCP2) involved in type 2diabetes, showing that the binding profiles towards key amino acid residues inthe active site were similar to that of the commercial alpha-amylase inhibitors:voglibose, acarbose and glibenclamide. Furthermore, the potent inhibitionof another selected compound: 3-(4-hydroxyphenyl) propanoic acid againstDJ-1 receptor (PARK7) involved in Parkinson’s disease was determined bydocking and it was observed that the binding profile towards key aminoacid residues in the active site was similar to that of commercial levodopa.Therefore, M. Pruriens extracts can be explored in managing type-2 diabetesand Parkinson’s disease.

Key words : Mucuna pruriens; GC-MS; Biomolecules; Ligand-based docking; Type-2 diabetes; Parkinson’s disease