Insight into the phytochemical composition, biological activities and docking studies of Moringa oleifera Lam. to authenticate its use in biopharmaceutical industries

Moringa oleifera Lam. is a fast-growing deciduous tree native to the subcontinent with a wide array of uses. It is used as food plant by human and animals. Since it contains beneficial higher calcium, vitamin A, vitamin C, protein, potassium and iron contents, it is also used to treat malnutrition in children. The present study is conducted for comprehensive phytochemical profiling via total bioactive contents and ultra-high performance liquid chromatography (UHPLC-MS) analyses, and biological profiling by determining the antioxidant potential via DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2'-azino-bis (3-ethylbenzothiazoline-6-sulphonic acid), FRAP (ferric reducing antioxidant power), CUPRAC (cupric reducing antioxidant power), phosphomolybdenum and metal chelation assays. In addition, alpha-amylase, alpha-glucosidase, acetylcholinesterase (AChE), butyrylcholinesterase (BChE) and tyrosinase inhibition assays were also performed. Multivariate statistical analysis was used to investigate the relationship between biological activities and total bioactive content of the extracts. Chemical profiling showed that total phenolic contents are present in highest concentrations in ethyl acetate extracts of the aerial parts and seed. Further total bioactive contents were correlated with their optimum anti-oxidant capacities for ABTS, FRAP and CUPRAC. Altogether 67 phytochemicals were identified from aerial parts of the plant and its seed with major classes as phenolics, flavonoids, sesquiterpenoids and alkaloids. The ethyl acetate extract of seed showed good inhibition of AChE (2.77 mg GALAE/g extract) and BChE (8.05 mg GALAE/g extract) followed by the inhibition potential of water extract as 8.34 mg GALAE/g extract. The ethyl acetate extract also showed most significant (61.93 mg-KAE/g) tyrosinase inhibitory activity. The hexane extract of seed showed good inhibition of alpha-glucosidase (6.32 mmol ACAE/g extract) and alpha-amylase (0.47 mmol ACAE/g extract). In silico docking studies were performed, where two herbimycin and prekinamycin showed good binding affinity with all the enzymes. It can be concluded that the presence of complex phytochemicals with multi-functional potential distinguishes Moringa oleifera Lam. as a promising source of health-promoting component and recommended its use in biopharmaceutical industries.