Integrative Network pharmacology and molecular docking analysis of <i>Abrus precatorius L.</i> 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 <i>Abrus precatorius L.</i> (<i>A. precatorius</i>). 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). <i>In vitro</i> cytotoxicity tests on HepG2 cells showed that F1 had significantly higher inhibition at 100 µg/mL (<i>p</i> < 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.