目的 利用网络药理学及分子对接技术，研究茵陈蒿汤治疗妊娠期肝内胆汁淤积症（ICP）的物质基础及可能的作用机制。方法 使用TCMSP数据库挖掘茵陈蒿汤有效成分和作用靶点，利用GeneCard与OMIM数据库筛选疾病靶点。将药物与疾病靶点的交集导入String构建PPI网络，使用Cytoscape3.7.2软件筛选核心靶点，借助Metascape数据库对靶点进行基因本体论（GO）功能和基因组百科全书（KEGG）通路富集分析，从筛选靶点-成分网络图中根据degree值筛选出前5个关键成分，并将该网络中的基因靶点以degree值高低进行排序，选择前5个核心靶点，然后从RCSB PDB数据库和Pub Chem数据库获取靶点与成分的三维结构和化学结构，使用Pymol软件对蛋白质分子进行去水、去磷酸根等操作，最后使用AutoDockTools进行分子对接。结果 茵陈蒿汤中共筛选出21种有效活性成分，关键成分5个，分别为槲皮素、山奈酚、芦荟大黄素、谷甾醇、大黄酸；其治疗ICP的的核心靶点14个，分别为JUN、CASP3、TNF、TP53、MYC、EGFR、AKT1、VEGFA、MMP9、MAPK1、EGF、IL6、CXCL8、MAPK8，靶点主要涉及细胞氧化应激反应、细胞运动的正向调节、受体配体活性、细胞因子受体结合、蛋白激酶活性等生物学过程，通过乙型、丙型肝炎途径、癌症途径、MAPK、 IL-17、TNF信号通路等多途径发挥治疗ICP的作用。分子对接结果显示关键成分与对应靶点具有较好的结合活性。结论 茵陈蒿汤治疗ICP是通过槲皮素、山奈酚、芦荟大黄素、谷甾醇、大黄酸等多种成分作用于JUN、CASP3、TNF、TP53、MYC、EGFR、AKT1、VEGFA、MMP9、MAPK1、EGF、IL6、CXCL8、MAPK8等多种基因靶点，从而影响MAPK、 IL-17、肿瘤坏死因子、ErbB、 Toll样受体以及乙型丙型肝炎病毒等多种相关信号通路发挥功效，该研究为进一步深入研究其作用机制奠定了基础。

Objective To study the material basis and possible mechanism of Yinchenhao Decoction in treating intrahepatic cholestasis of pregnancy (ICP) by using network pharmacology and molecular docking technology.Methods TCMSP database was used to mine the effective components and action targets of Yinchenhao Decoction, and GeneCard and OMIM database were used to screen the disease targets. Introducing the intersection targets of drugs and disease targets into String to construct PPI network, screening the core key targets by using Cytoscape3.7.2 software, performing gene ontology (GO) function and genome encyclopedia (KEGG) pathway enrichment analysis on the targets by using Metascape database, and obtaining the three-dimensional structure and chemical structure of targets and components from RCSB PDB database and Pub Chem database. Pymol software was used to remove water and phosphate from protein molecules. Auto Dock1.5.6 software was used to convert compound and core protein gene pdb format into pdbqt format and search for active pockets, and finally run AutoDockTools for molecular docking.Results A total of 21 active ingredients were screened out in Yinchenhao Decoction, and 5 key ingredients were quercetin, kaempferol, aloe-emodin, sitosterol and rhein. There were 14 core targets for treating ICP, which are JUN, CASP3, TNF, TP53, MYC, EGFR, AKT1, VEGFA, MMP9, MAPK1, EGF, IL6, CXCL8, MAPK8. The targets mainly involved biological processes such as oxidative stress reaction of cells, positive regulation of cell movement, receptor ligand activity, cytokine receptor binding, protein kinase activity, etc. The results of molecular docking showed that the key components have good binding activity with corresponding targets.Conclusion Yinchenhao Decoction can treat ICP through quercetin, kaempferol, aloe-emodin, sitosterol and rhein acting on JUN, CASP3, TNF, TP53, MYC, EGFR, AKT1, VEGFA, MMP9, MAPK1, EGF, IL6, CXCL8, MAPK8 and other gene targets, thus affecting MAPK signal pathway, il-. Tumor necrosis factor signaling pathway, ErbB signaling pathway, toll-like receptor signaling pathway and hepatitis b-c virus-related signaling pathway, etc., which laid a foundation for further study of its mechanism.

R289.5