摘要
目的基于网络药理学和分子对接探讨黄芪-当归药对治疗高血压的作用机制。方法采用TCMSP数据库筛选黄芪、当归活性成分,SwissTargetPrediction数据库获取对应靶点,通过GeneCards、DrugBank及DisGeNET数据库获取高血压病相关靶点,并与黄芪-当归作用靶点取交集,得到其治疗高血压病潜在靶点。将交集靶点利用STRING数据库构建蛋白相互作用(PPI)网络,通过DAVID6.8数据库对靶点进行GO及KEGG富集分析。使用AutoDock4.2.6软件将主要活性成分与核心靶点进行分子对接验证。结果得到黄芪-当归药对活性成分29个,活性成分与高血压病交集靶点189个,GO富集分析得到生物过程285个、细胞组分36个、分子功能65个,KEGG富集分析得到100条通路。分子对接结果显示,11个主要活性成分与5个核心靶点(VEGFA、MAPK1、PIK3CA、SRC、AKT1)均具有较好的亲和力。结论黄芪-当归主要活性成分熊竹素、山柰酚、槲皮素、异鼠李素、阿魏酸等可能通过HIF-1信号通路、PI3K-Akt信号通路、黏着斑、cAMP等信号通路,作用于VEGFA、MAPK1、PIK3CA、SRC、AKT1等靶点治疗高血压。
Objective To explore the mechanism of Astragali Radix-Angelicae Sinensis Radix in the treatment of hypertension based on network pharmacology.Methods TCMSP was used to screen the active components of Astragali Radix and Angelicae Sinensis Radix,and SwissTargetPrediction database was used to catch the relevant targets.The related targets of hypertension were obtained by GeneCards,DrugBank and DisGeNET databases,then intersected with the action targets of Astragali Radix-Angelicae Sinensis Radix to get the potential targets for the treatment of hypertension.Those above targets were put into the STRING database to predict PPI network,and then GO and KEGG enrichment analysis were carried out with DAVID 6.8 database to reveal the potential action pathway of Astragali Radix-Angelicae Sinensis Radix in the treatment of hypertension.Finally,AutoDock 4.2.6 software was used to verify the molecular docking between the main active components and the core targets.Results A total of 29 active components and 189 intersection targets of active components and hypertension in Astragali Radix and Angelicae Sinensis Radix were obtained.285 items related to biological process,36 cell components and 65 molecular functions were obtained by GO enrichment analysis.KEGG enrichment analysis obtained 100 action pathways.The results of molecular docking showed that the 11 main active components had good affinity with the first five core targets(VEGFA,MAPK1,PIK3CA,SRC,AKT1).Conclusion The main active components of Astragali Radix-Angelicae Sinensis Radix,jaranol,kaempferol,quercetin,isorhamnetin,and ferulic acid may act on VEGFA,MAPK1,PIK3CA,SRC,AKT1 and other targets to treat hypertension through HIF-1 signaling pathway,PI3K-Akt signaling pathway,adhesion plaque,cAMP and other signaling pathways.
作者
刘珊
王文越
王晓龙
李珩玉
王加峰
滕佳林
王永春
LIU Shan;WANG Wenyue;WANG Xiaolong;LI Hengyu;WANG Jiafeng;TENG Jialin;WANG Yongchun(Shandong University of Traditional Chinese Medicine,Jinan 250355,China;The Second Affiliated Hospital of Shandong University of Traditional Chinese Medicine,Jinan 250011,China)
出处
《中国中医药图书情报杂志》
2023年第5期18-25,共8页
Chinese Journal of Library and Information Science for Traditional Chinese Medicine
基金
山东中医药大学教育教学研究课题(ZYY2022086)
山东中医药大学教学改革团队项目(JG2023079、JG2023002)
山东省研究生教育质量提升计划项目(SDYKC20048)。
关键词
黄芪
当归
高血压病
网络药理学
分子对接
作用机制
Astragali Radix
Angelicae Sinensis Radix
hypertension
network pharmacology
molecular docking
mechanism