The present research was undertaken to identify the bioactive compounds present in two varieties of Mucuna pruriens var utilis: (IIHR Selection 3 and Arka Dhanvantari) and their pharmaceutical importance evaluated through phytochemical and in-silico screening. The phytochemical screening of the leaf and seed extracts revealed the presence of alkaloids, tannins, flavonoids, phenols, proteins, terpenoids, reducing sugars, glycosides, carbohydrates, steroids and saponins. A total of 43 compounds were identified in the GC-MS analysis and the identified biological active compounds were used for in-silico analysis. In-silico docking study revealed potent inhibition of the selected compounds: alpha-D-glucopyranoside, ethyl iso-allocholate and sitosterol against uncoupling protein2 receptor (UCP2) involved in type 2 diabetes, showing that the binding profiles towards key amino acid residues in the active site were similar to that of the commercial alpha-amylase inhibitors: voglibose, acarbose and glibenclamide. Furthermore, the potent inhibition of another selected compound: 3-(4-hydroxyphenyl) propanoic acid against DJ-1 receptor (PARK7) involved in parkinson’s disease was determined by docking study and it was observed that the binding profile towards key amino acid residues in the active site was similar to that of commercial levodopa. Therefore, Mucuna pruriens extracts can be recommended in the management of type-2 diabetes and parkinson’s disease.

Keywords: Mucuna pruriens, GC-MS, biomolecules, Ligand-based docking, Type-2 diabetes, parkinson’s disease.