本研究旨在探讨黄芩汤治疗肝癌的作用机制。黄芩汤的活性成分及相应靶点均从中药系统药理学数据库中获取。从 mRNA 表达数据中鉴定出肝癌中的差异表达基因。使用差异表达基因和黄芩汤靶标构建蛋白质-蛋白质相互作用（PPI）网络。在 PPI 网络上进行重新启动随机游走 (RWR) 分析。进行了基因本体论和京都基因和基因组百科全书分析。建立药物-活性成分-基因相互作用网络，并进行分子对接和分子动力学模拟。最后，根据细胞热位移分析（CETSA）测试CDK1与oroxylin结合的稳定性。鉴定出160个活性成分、239个靶标和1093个差异表达基因。 RWR 分析确定了肝癌的 10 个潜在靶点。富集分析表明蛋白激酶调节活性和类固醇激素生物合成是重要的途径。分子对接表明 oroxylin A 和 CDK1 之间存在稳定的复合物。 CETSA证明oroxylin A与CDK1结合增加了CDK1的稳定性，且结合效率高。黄芩汤可能通过oroxylin A靶向CDK1来治疗肝癌。蛋白激酶调节活性和类固醇激素生物合成途径可能在其中发挥作用黄芩汤治疗肝癌。本研究深入了解黄芩汤治疗肝癌的机制基础。

This study aims to investigate the mechanism of Huangqin Tang in treating liver cancer.Active ingredients and corresponding targets of Huangqin Tang were obtained from the Traditional Chinese Medicine Systems Pharmacology Database. Differentially expressed genes in liver cancer were identified from mRNA expression data. A protein-protein interaction (PPI) network was constructed using differentially expressed genes and Huangqin Tang targets. Random walk with restart (RWR) analysis was performed on the PPI network. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analyses were conducted. A drug-active ingredient-gene interaction network was established, and molecular docking and molecular dynamics simulations were performed. Finally, the stability of binding between CDK1 and oroxylin was tested according to cellular thermal shift assay (CETSA).160 active ingredients, 239 targets, and 1093 differentially expressed genes were identified. RWR analysis identified 10 potential targets for liver cancer. Enrichment analysis revealed protein kinase regulator activity and Steroid hormone biosynthesis as significant pathways. Molecular docking suggested a stable complex between oroxylin A and CDK1. CETSA demonstrated that the combination of oroxylin A and CDK1 increased the stability of CDK1, and the combination efficiency was high.Huangqin Tang may treat liver cancer by targeting CDK1 with oroxylin A. Protein kinase regulator activity and Steroid hormone biosynthesis pathways may play a role in liver cancer treatment with Huangqin Tang. This study provides insight into the mechanistic basis of Huangqin Tang for liver cancer treatment.