基于网络药理学预测补阳还五汤治疗动脉粥样硬化的药效物质与作用机制  

Prediction of the Material Basis and Mechanism of Buyang Huanwu Decoction in the Treatment of Atherosclerosis Based on Network Pharmacology

作　　者：王玮玮 姜丽[1,2,3] 李冰涛 翟兴英[1] 刘玉晖 徐国良[1,2,3] WANG Wei-wei;JIANG Li;LI Bing-tao;ZHAI Xing-ying;LIU Yu-hui;XU Guo-liang(Research Center for Differentiation and Development of Chinese Medicine Basic Theory,Jiangxi University of Chinese Medicine,Nanchang 330004,China;Jiangxi Provincial Key Laboratory of Chinese Medicine Etiopathogenisis,Nanchang 330004,China;Jiangxi Key Laboratory of Pharmacology of Chinese Medicine,Nanchang 330004,China)

机构地区：[1]江西中医药大学中医基础理论分化发展研究中心,南昌330004 [2]江西省中医病因生物学重点实验室,南昌330004 [3]江西省中药药理重点实验室,南昌330004

出　　处：《江西中医药大学学报》2021年第5期65-73,共9页Journal of Jiangxi University of Chinese Medicine

基　　金：国家自然科学基金项目(81860712,81460612,81703823);江西省科学基金计划项目(20192BAB205110);江西省卫生厅中医药科技计划项目(2018B131)。

摘　　要：目的:预测补阳还五汤治疗动脉粥样硬化的药效物质及作用机制。方法:基于网络药理学理论框架,结合以"OB≥30%,Lipinski五规则"条件下的潜在活性成分筛选、靶点预测、网络构建及KEGG通路富集分析等方法进行补阳还五汤治疗动脉粥样硬化的药效物质与作用机制预测。结果:补阳还五汤满足"OB≥30 %,Lipinski五规则"条件的潜在活性成分共有198个活性成分,药物靶标中有30个靶标与动脉粥样硬化相关。此外,对这30个活性靶标进行KEGG通路分析,共获得16条代谢通路,其中有4条通路与动脉粥样硬化相关,分别为HIF-1信号通路、TNF信号通路、NF-κB信号通路、花生四烯酸代谢通路。利用Cytoscape 3.7.1软件对补阳还五汤198个药材潜在活性成分与30个抗动脉粥样硬化靶标进行网络拓扑性分析,以度、介数中心度和紧密中心度3项数值均在平均值以上为筛选条件,最终获得66个关键活性成分(黄芩素、阿魏酸、2-甲基苯并唑、壬醛、正丁基苯酞、水杨酸等)及8个关键靶标(PARP1、ESR1、PTGS2、ALOX5、CNR2、NOS2、PPARG、LTA4H)。结论:补阳还五汤可通过HIF-1信号通路、TNF信号通路、NF-κB信号通路、花生四烯酸代谢等多条途径发挥抗动脉粥样硬化作用,表现出多成分、多靶点、多通路的特点,与动脉粥样硬化治疗机制相一致。Objective:To predict the material basis and mechanism of Buyang Huanwu Decoction in the treatment of atherosclerosis.Methods:Based on the theoretical framework of network pharmacology,the material basis and mechanism of anti-atherosclerosis of Buyang Huanwu Decoction were predicted by the methods of potential active components under the condition of "0 B(oral bioavailability) ≥30%,Lipinski five rules",target prediction,network construction and KEGG pathway enrichment analysis,etc.Results:There were 198 potential active components of Buyang Huanwu Decoction that meet the conditions of "OB(oral bioavailability) ≥30%, Lipinski five rules",and Thirty drug targets were related to atherosclerosis.In addition,KEGG pathway analysis of these 30 active targets shown that there were 16 metabolic pathways,including 4 pathways related to atherosclerosis,which were HIF-1 signaling pathway and TNF signaling pathway,NFkB signal pathway,arachidonic acid metabolism pathway.The network topological analyses of 198 potential active components and 30 antiatherosclerotic targets of Buyang Huanwu Decoction were carried out by the software of Cytoscape 3.7.1.Sixty-six key active components(baicalein,ferulic acid,2-mMethylbenzoxazol,nonanal,3-n-Butylphthalide,salicylic acid) and 8 key targets(PARP1,ESR1,PTGS2,ALOX5,CNR2,NOS2,PPARG,LTA4 H) were finally obtained under the condition that the values of degree,intermediate centrality and compactness centrality were above the average.Conclusion:Buyang Huanwu Decoction mainly plays an anti-atherosclerotic role through HIF-1 signaling pathway,TNF signaling pathway,NF-κB signaling pathway,arachidonic acid metabolism and other channels,showing the characteristics of multi-component,multi-target and multi-channel,which is consistent with the treatment mechanism of atherosclerosis.

关 键 词：补阳还五汤 动脉粥样硬化 网络药理学 药效物质基础 作用机制 

分 类 号：R285[医药卫生—中药学]