Integrative Network pharmacology and molecular docking analysis of Abrus precatorius L. for hepatocellular carcinoma: experimental validation and insights

Worldwide, liver cancer is a leading cause of deaths, necessitating exploration of novel therapeutic strategies. This study used network pharmacology and molecular docking to explore anticancer effects of Abrus precatorius L. (A. precatorius). Phytoconstituents were analysed from IMPPAT database, identifying AKT1 and CDK1 as important targets. Molecular docking showed that stigmasterol is strong modulator with a binding energy of −9.7 kcal/mol. Phytochemical screening confirmed presence of stigmasterol in the ethyl acetate Fraction (F1) through Thin Layer Chromatography (TLC), Gas Chromatography–Mass Spectrometry (GC–MS), Fourier Transform Infra-red Spectroscopy (FT–IR), and Proton Nuclear Magnetic Resonance (1H NMR). In vitro cytotoxicity tests on HepG2 cells showed that F1 had significantly higher inhibition at 100 µg/mL (p < 0.0001). The IC50 values were 62.3 µg/mL for F1 and 74.6 µg/mL for standard, indicating that F1 is more effective. These results suggest that stigmasterol-rich F1 could be a promising option for treating liver cancer.