INTEGRATED EXPERIMENTAL AND NETWORK PHARMACOLOGY-BASED PHYTOCHEMICAL PROFILING AND EVALUATION OF THE ANTICANCER POTENTIAL OF GARCINIA TALBOTII

Objective: To investigate the phytochemical profile and cytotoxic and anticancer potential of Garcinia talbotii (GT) Raizada ex Santapau using an integrated experimental and computational approach. Methods: Different cosolvent extracts of the aerial portions of GT obtained by supercritical fluid extraction were evaluated for phytochemical content. Network pharmacology was employed to identify potential anticancer-related targets, followed by molecular docking to predict ligand–target interactions. The extracts were further evaluated for brine shrimp lethality and cytotoxicity against MCF-7 breast cancer cells using the MTT assay. Results: A literature survey identified 22 bioactive compounds associated with GT. Network pharmacology revealed 44 common anticancer-related targets, with Heat Shock Protein 90 Alpha Family Class A Member 1 (HSP90AA1) identified as a central hub. Molecular docking predicted a favorable interaction between vitexin and HSP90AA1, with a binding energy of −22.92 kcal/mol. In vitro evaluation showed that the ethanol (E) extract had the highest phenolic and flavonoid contents and exhibited the strongest cytotoxic activity against MCF-7 cells (IC50: 12.94±2.55 μg/mL), along with substantial brine shrimp toxicity (LC50: 13.17±4.42 μg/mL). Conclusion: The integrated findings support the anticancer potential of GT, particularly its E extract. Network pharmacology and molecular docking predicted HSP90AA1 as a potential hub target and vitexin as a potential interacting phytoconstituent, whereas in vitro findings demonstrated cytotoxic activity.