中南医学科学杂志2024，Vol.52Issue(2)：167-172,6.DOI:10.15972/j.cnki.43-1509/r.2024.02.003
基于网络药理学和分子对接探究安替可胶囊治疗肝癌的作用机制
To explore the mechanism of Antike capsule in treating liver cancer based on network pharma-cology and molecular docking
摘要
Abstract
Aim To explore the mechanism of Antike capsule in the treatment of hepatocellular carcinoma based on network pharmacology and molecular docking.Methods TCMSP,SWISStarget and Uniprot databases were used to search the active com-pounds and compound targets of Antike capsules.The target of liver cancer disease was obtained by using TCGA database.The drug and disease intersection targets were obtained and imported into Cytoscape 3.8.2 software for drug-target-disease visualization net-work diagram.PPI interaction analysis,survival analysis by limit product method,gene GO function analysis and KEGG pathway a-nalysis were performed for intersection targets,and molecular docking was performed for key targets.Results 215 targets of An-tike capsule and 674 targets of liver cancer were obtained,including 10 intersection targets.The expressions of CYP2C19,GCGR,ADCY1 and DPP4 were negatively correlated with the mortality of liver cancer.The expressions of AURKA,NUDT1,CDK1,AURKB and G6PD were positively correlated with the mortality of liver cancer.Enrichment analysis found that 10 key targets were associated with 19 biological processes,8 cell compositions,6 organizational functions,and 2 signaling pathways.Molecular docking showed that G6PD was the most active target,followed by AURKA.PARP1 was the best binding energy target,followed by AURKA.Conclusion Antike capsule may have effects on CYP2C19,GCGR,ADCY1,AURKA,PARP1,NUDT1,CDK1,AURKB,DPP4,G6PD and other multi-channel treatment for liver cancer,which provides a foundation for further study of its pharma-cological mechanism.关键词
安替可胶囊/肝癌/网络药理学/分子对接Key words
Antike capsule/liver cancer/network pharmacology/molecular docking分类
医药卫生引用本文复制引用
左瑶瑶,梅丹,王慧芳,秦澄,沈丽君,韩黎黎..基于网络药理学和分子对接探究安替可胶囊治疗肝癌的作用机制[J].中南医学科学杂志,2024,52(2):167-172,6.基金项目
江苏省药学会-天晴医院药学基金项目(Q202040) （Q202040）
南通大学临床医学专项项目(2022LY022) （2022LY022）
