首页|基于网络药理学与分子对接探讨黄芪-丹参治疗肝纤维化的作用机制

基于网络药理学与分子对接探讨黄芪-丹参治疗肝纤维化的作用机制

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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.
The Mechanism of Huangqi-Danshen in the Treatment of Liver Fibrosis Based on Network Pharmacology and Molecular Docking
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.

Huangqi-DanshenLiver fibrosisNetwork pharmacologyMolecular docking

赵一鹏、缪玲、钟亚玩、徐坤敏、黄娜娜、周云松、胡芳

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贵州中医药大学第二临床医学院,贵州 贵阳 550000

贵州中医药大学第二附属医院消化内科,贵州 贵阳 550000

黄芪-丹参 肝纤维化 网络药理学 分子对接

2024

医学信息
国家卫生部信息化管理领导小组 中国电子学会中国医药信息学分会 陕西文博生物信息工程研究所

医学信息

影响因子:0.161
ISSN:1006-1959
年,卷(期):2024.37(4)
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