Metabolite profiling and pharmacological evaluation of Lablab purpureus seed coat: a rich source of antioxidant, antibacterial and anticancer metabolites

BACKGROUND Cancer remains a major health concern worldwide, highlighting the need for safer and affordable treatments from natural sources. This study evaluated the antioxidant, antibacterial and anticancer potential of different solvent fractions of Lablab purpureus seed coat using in vitro , in vivo and in silico approaches. Methanol, ethyl acetate, dichloromethane and n ‐hexane extracts were subjected to phytochemical screening, antioxidant assays, cytotoxicity testing against HeLa cells, antibacterial evaluation, molecular docking and molecular dynamics studies targeting estrogen receptor alpha. RESULTS Among the tested extracts, the methanolic fraction showed the strongest antioxidant activity, with half‐maximal inhibitory concentration values of 86.83 μg mL −1 and 67.56 μg mL −1 in the 2,2‐diphenyl‐1‐picrylhydrazyl (i.e. DPPH) and 2,2´‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) (i.e. ABTS) assays, respectively. This activity was consistent with its high phenolic and flavonoid contents. In a carbon tetrachloride‐induced oxidative stress mouse model, the methanolic extract significantly improved serum glutamate pyruvate transaminase, serum glutamate oxaloacetate transaminase and catalase levels. It also demonstrated strong cytotoxic activity against HeLa cells, reducing cell viability by more than 95%. The n ‐hexane extract showed notable antibacterial activity, particularly against Pseudomonas aeruginosa , with a zone of inhibition of 32 mm. Gas chromatography‐tandem mass spectrometry analysis of the methanolic crude extract identified 76 compounds, among which N ‐benzylisatoic anhydride and pallensin showed strong binding affinity toward estrogen receptor alpha, with docking scores comparable to doxorubicin. Pallensin also exhibited favorable electronic properties, whereas molecular dynamics, molecular mechanics/generalized born surface area and principal component analyses confirmed stable ligand‐receptor interactions. CONCLUSION Overall, the findings indicate that L. purpureus seed coat is a promising source of bioactive compounds with antioxidant, antibacterial and anticancer activities.