Metabolomic profiling of Boehmeria virgata leaves and antioxidant, α-glucosidase inhibitory, and cytotoxic activities targeting EGFR L858R/T790M

This study aimed to profiling B. virgata leaves extract, evaluate biological activities, and investigate alkaloid interactions targeting EGFR. Extraction was performed using reflux with solvents of increasing polarity, yielding n-hexane, ethyl acetate, and ethanol extracts. Antioxidant activity was assessed using DPPH, CUPRAC, and FRAP assays, while α-glucosidase inhibition was evaluated in vitro. Cytotoxicity was tested against NSCLC cell lines harbouring EGFR L858R/T790M mutations and wild-type. Ethanol extracts showed the highest antioxidant activity (DPPH: 118.95 ± 0.21; FRAP: 9.50 ± 0.29; CUPRAC: 226.84 ± 2.33 TEAC/g extract), strong α-glucosidase inhibition (IC50 = 13.38 ± 0.26 µg/mL), and selective cytotoxicity against H1975 cells (IC50 = 7.19 × 10−14). Alkaloid compounds 1 and 2 interact with key residues, particularly Cys797, with binding affinities of −7.1 and −6.8 kcal/mol, comparable to references. B. virgata exhibits multifunctional bioactivities, likely attributed to its alkaloid constituents, supporting its potential as a source of novel therapeutic agents.