世界中医药
文章摘要
引用本文:刘童童1,王宇阳1,王倩2,冒慧敏1,占永立1.基于网络药理学探讨缓衰方对慢性肾脏病心肾保护作用的机制[J].世界中医药,2021,(20):.  
基于网络药理学探讨缓衰方对慢性肾脏病心肾保护作用的机制
Mechanism of Cardiorenal Protection of Huan Shuai Formula on Chronic Kidney Disease Based on Network Pharmacology
投稿时间:2020-05-27  
DOI:10.3969/j.issn.1673-7202.2021.20.004
中文关键词:  网络药理学  缓衰方  慢性肾脏病  心血管疾病  活性成分  靶点  信号通路  作用机制
English Keywords:Network pharmacology  Huan Shuai Formula  Chronic kidney disease  Cardiovascular disease  Active components  Targets  Signaling pathway  Mechanism
基金项目:中国中医科学院优秀青年科技人才(创新类)培养项目(ZZ13-YQ-031)
作者单位
刘童童1,王宇阳1,王倩2,冒慧敏1,占永立1 1 中国中医科学院广安门医院北京100053 2 北京中医药大学北京100029 
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中文摘要:
      目的:探讨缓衰方对慢性肾脏病(CKD)心肾保护作用的机制。方法:基于中药系统药理学数据库与分析平台(TCMSP)检索缓衰方中5味中药的有效活性成分并获得相应的预测靶点;通过GEO数据库、GeneCards数据库和人类孟德尔遗传数据库(OMIM)检索与CKD和心血管疾病(CVD)相关的靶点,并对药物靶点和疾病靶点进行映射取交集作为缓衰方对CKD患者心肾保护作用的关键靶点。基于String数据库对关键靶点进行蛋白质-蛋白质相互作用(PPI)网络分析,并通过拓扑分析得到缓衰方对CKD患者心肾保护作用的核心靶点,基于autodock软件对缓衰方的活性成分和核心靶点作分子对接,分析成分和靶点的结合能力。并对关键靶点进行基因本体(GO)富集分析和京都基因和基因组百科全书(KEGG)通路富集分析。结果:共得到缓衰方有效活性成分105种,预测靶点135个,得到CKD疾病相关靶点1 436个,CVD疾病相关靶点744个。共得到缓衰方对CKD心肾保护作用的关键靶点53个,拓扑分析得到核心靶点18个,分子对接结果显示缓衰方的11个活性成分和10个核心靶点平均最低结合能为-6.58 kcal/mol,其中豆甾醇、槲皮素与PTGS2靶点蛋白结合能最高。共得到对氧含量的反应、细胞对药物的反应、循环系统中的血管过程等1 275个GO富集结果和低氧诱导因子-1(HIF-1)信号通路、肿瘤坏死因子(TNF)信号通路、白细胞介素-17(IL-17)信号通路等76条KEGG信号通路。结论:缓衰方通过多成分、多靶点、多信号通路途径实现对CKD的心肾保护作用。
English Summary:
      To explore the mechanism of the heart and kidney protective effect of Huan Shuai Formula on the chronic kidney disease(CKD).Methods:We searched for targets related to CKD and Cardiovascular Disease(CVD) through GEO database,GeneCards database and Human Mendelian Inheritance Database(OMIM),and map drug targets and disease targets to take the intersection as a slowing down prescription as the key target of cardio-renal protection in CKD patients.The protein-protein interaction(PPI) network analysis of key targets was based on the String database,and topological analysis was used to obtain the core targets of the heart and kidney protection of CKD patients.Based on the autodock software,molecular docking of the active ingredients and core targets of the Huan Shuai formula was performed,and the binding ability of the ingredients and the targets was analyzed.And we carried out GO(Gene Ontology) biological process enrichment analysis and Genome Encyclopedia(KEGG) pathway enrichment analysis for key targets.Results:A total of 105 active components,135 predicted targets,1 436 CKD disease related targets and 744 CVD disease related targets were obtained.A total of 53 key targets for the cardio-renal protection of CKD by Yan shuai Formula were obtained,and 18 core targets were obtained by topological analysis.The molecular docking results showed that the average minimum binding energy of 11 active ingredients and 10 core targets of Yan Shuai Formula was-6.58 kcal/mol,of which stigmasterol and quercetin had the highest binding energy to PTGS2 target protein.A total of 1275 GO enrichment results,hypoxia inducible Factor-1(HIF-1) signaling pathway,Tumor Necrosis Factor(TNF) signaling pathway,Interleukin-17(Interleukin-17,IL-17),the 76 KEGG signal pathways were obtained.Conclusion:Huan Shuai Formula can protect the heart and kidney function of CKD through multi-component,multi-target and multi signal pathway.
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