【摘要】 目的:基于网络药理学与分子对接方法分析花锚治疗肝胆相关疾病的潜在作用机制。方法:通过TCMIP V2.0、PubChem、GeneCards、OMIM数据库预测花锚黄酮类成分的潜在靶标及疾病靶标；应用STRING 11.0数据库构建蛋白互作网络，通过GO和KEGG富集分析，并通过Cytoscape 3.8.1软件构建花锚药材-黄酮成分-关键靶标多维网络；最后采用AutoDockVina分子对接软件对活性成分与关键靶点进行验证。结果:筛选出10个活性成分，4个关键靶点(TP53、AKT1、ESR1、MAPK1);GO和KEGG富集分析结果显示生物学反应包括144个条目，细胞组成涉及30个条目，分子学功能涉及61个条目，KEGG富集分析获得91个通路；分子对接结果表明10个活性成分与4个关键靶点的最低结合能均小于-5.0 kcal/mol,具有较好的结合性。结论:通过网络药理学、分子对接技术揭示了花锚黄酮治疗肝胆相关疾病的作用，为后续的临床试验及药物研究提供了理论参考。更多还原

【Abstract】 Objective:Based on network pharmacology and molecular docking method, the potential mechanism of Halenia Corniculata L.Cornaz in the treatment of hepatobiliary related diseases was analyzed.Methods:Predict the potential targets and disease targets of flavonoids in the Halenia Corniculata L.Cornaz through TCMIP V2.0,PubChem, GeneCards, and OMIM databases; The STRING 11.0 database was used to construct the protein interaction network, GO and KEGG enrichment analysis, and the multi-dimensional network of Halenia Corniculata L.Cornaz herbs-flavonoids-key targets was constructed by Cytoscape 3.8.1 software; Finally, AutoDockVina molecular docking software was used to verify the active ingredients and key targets.Results:Screened out 10 active ingredients and 4 key targets(TP53,AKT1,ESR1,MAPK1);GO and KEGG enrichment analysis results showed that GO-BP included 144 entries; GO-CC involves 30 entries, GO-MF involves 61entries, KEGG enrichment analysis yielded 91 pathways; Molecular docking results showed that the minimum binding energy of the 10 active ingredients and the four key targets were all less than-5.0kcal/mol, indicated good binding properties.Conclusion:Through network pharmacology and molecular docking technology, the research shows the effect of Halenia Corniculata L.Cornaz in the treatment of hepatobiliary related diseases, which provides a theoretical basis for subsequent clinical trials and drug research.更多还原