摘要
目的 通过网络药理学与分子对接研究黄芪-丹参治疗肝纤维化作用机制.方法 利用TCMSP数据库平台对黄芪、丹参有效成分及其相关作用靶点进行筛选;利用GeneCards和OMIM数据库平台对肝纤维化作用靶点进行筛选.利用Cytoscape软件构建"药物-成分-疾病-靶点"网络图,运用String和David数据库对靶点进行PPI网络、GO生物过程与KEGG通路分析.通过AutoDock Vina对成分和靶点进行分子对接.结果 黄芪-丹参中共获得有效成分76个,与肝纤维化对应的靶点64个;GO生物过程102条,信号通路155条,主要涉及的信号通路有糖尿病并发症中的AGE-RAGE信号通路、IL-17信号通路、TNF信号通路、缺氧诱导因子1(HIF-1)信号通路等.分子对接显示黄芪、丹参中槲皮素、木犀草素、山柰酚和丹参酮ⅡA等与核心靶点AKT1、TP53、VEGFA、TNF、IL-6均具有较好的亲和力.结论 黄芪-丹参治疗肝纤维化的作用机制具有"多成分、多靶点、多信号通路"的特点,为今后的实验研究提供了参考依据.
Abstract
Objective To study the mechanism of Huangqi-Danshen in the treatment of liver fibrosis by network pharmacology and molecular docking.Methods The TCMSP database platform was used to screen the effective components and related targets of Huangqi and Danshen.GeneCards and OMIM database platforms were used to screen the targets of liver fibrosis.Cytoscape software was used to construct the"drug-component-disease-target"network diagram,and String and David databases were used to analyze the PPI network,GO biological process and KEGG pathway of the targets.Molecular docking of components and targets was performed by AutoDock Vina.Results A total of 76 active ingredients and 64 targets corresponding to liver fibrosis were obtained from Huangqi-Danshen.There were 102 GO biological processes and 155 signaling pathways.The main signaling pathways involved were AGE-RAGE signaling pathway,IL-17 signaling pathway,TNF signaling pathway,and hypoxia-inducible factor 1(HIF-1)signaling pathway in diabetic complications.Molecular docking showed that quercetin,luteolin,kaempferol and tanshinone Ⅱ A in Radix Astragali and Radix Salviae Miltiorrhizae had good affinity with core targets AKT1,TP53,VEGFA,TNF and IL-6.Conclusion The mechanism of Huangqi-Danshen in the treatment of liver fibrosis has the characteristics of"multi-component,multi-target and multi-signal pathway",which provides a reference for future experimental research.
维普
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