Besides, the incidence of cellular DNA damage and apoptosis was further analysed in each of the cancer cell lines treated with dihydrotanshinone I. In addition, EGFR and its related signalling pathways as potential targets for therapeutic intervention against HCC were further revealed by integrating network pharmacology, molecular docking, molecular dynamics simulations, and pharmacological phenotypes. This evidence concerns the gene EGFR and hepatocellular carcinoma.