Based on our topology analysis and molecular docking simulation, eight compounds (MOL39, MOL67, MOL18, MOL43, MOL10, MOL14, MOL52, and MOL17) and eight targets (CDK1, MMP9, PPARD, PPARG, PTGS2, SERPINE1, TP53, and HIF1A) were regarded as critical compounds and targets for the mechanism of HQD in the treatment of liver fibrosis. The gene discussed is SERPINE1; the disease is Hepatic fibrosis.