Phytochemical Profile and Evaluation of the Antioxidant, Anticancer, and Antimicrobial Potential of <i>Artocarpus lacucha</i> Bark Extracts: In Vitro and In Silico Studies

Artocarpus lacucha Roxb., traditionally used in ethnomedicine, was investigated for its pharmacological potential through a multimethodological approach. The ethyl acetate fraction (EAF) and chloroform fraction (CHF) of bark extracts were analyzed for antioxidant, anticancer, and antimicrobial properties. HPLC identified key polyphenols (e.g., catechin hydrate, myricetin), while bioassays revealed EAF as the most active fraction, exhibiting the highest phenolic content (116.16 ± 1.98 mg GAE/g), potent DPPH scavenging (IC 50 = 6.85 μg/mL), and significant cytotoxicity against A549 lung cancer cells (58.87% viability at 300 μg/mL). CHF, EAF, and aqueous fraction (AQF) exhibited selective antibacterial activity against resistant strain, with the CHF fraction showing the highest activity against Staphylococcus aureus (inhibition zone: 14 ± 0.6 mm). Molecular docking highlighted strong SRBD1 binding for myricetin (−6.8 kcal/mol) and catechin hydrate (−6.6 kcal/mol), supported by stable interactions in MD simulations. The findings highlight the therapeutic potential of Artocarpus lacucha bark extracts as promising sources of natural antioxidants, cytotoxic agents, and antimicrobial compounds.