Exploring the phytochemical profile and therapeutic investigations on Moringa concanensis Nimmo pod husk extracts: An integrated in vitro and in silico approach

Abstract

The present study aimed to determine the chemical profiling, antidiabetic, antioxidant, and antibacterial activity of Moringa concanensis pod husk (MCPH) by in vitro and in silico methods. Phytochemical analysis displayed significant ratios of secondary metabolites in all the extracts MPCH. Major compounds recorded during chemical profiling are 2,5-dimethylfuran-3,4(2H,5H)-dione (19.2%), oleic acid (13.4%) and campesterol (9%), pyranone (5.7%), monomethyl succinate (5.7%), and 1,2-cyclopentanedione (5.4%). In vitro pharmacological studies revealed that methanolic extract of MCPH had a significant effect on α-amylase (IC50 of 78.98 ± 0.58 μg/mL), α-glucosidase (IC50 of 40.80 ± 0.53 μg/mL) enzyme inhibition assays and antioxidant (IC50 of 54.60 ± 0.5 μg/mL for NO) activity. Antibacterial activity was evaluated against various bacterial strains and the ethyl acetate (MIC of 59.30 μg/mL), methanol (MIC of 14.84 μg/mL) and aqueous (MIC of 118.70 μg/mL) extracts of MCPH possessed potent inhibition effect against all the tested bacteria. Molecular docking investigation revealed that α-tocopherol acetate, palmitone, α-tocopherol, oleamide, β-sitosterol, and heptagonal had maximum binding affinity and docking score for all enzyme targets studied. Simulation studies indicate that α-tocopherol acetate could potentially be used as an activator to manage the enzymatic activity of α-amylase. The results showed that Moringa concanensis pod husk extracts are potential biological source of myriad phytoconstituents with pharmacological properties that can be further regulated for the discovery of novel drugs for the mankind.