黄芪桂枝五物汤治疗心衰的网络药理学机制  

Network pharmacologic mechanism of Huangqi Guizhi Wuwu Decoction in treating heart failure

作　　者：范晓艳[1] 王元耕 陈泽涛[3] FAN Xiaoyan;WANG Yuangeng;CHEN Zetao(The First Department of Cardiovascular Diseases,Affiliated Hospital of Shandong University of Traditional Chinese Medicine,Jinan 250014,Shandong,China;First Clinical College of Medicine,Shandong University of Traditional Chinese Medicine,Jinan 250014,Shandong,China;Geriatrics Center,Affiliated Hospital of Shandong University of Traditional Chinese Medicine,Jinan 250014,Shandong,China)

机构地区：[1]山东中医药大学附属医院心血管病一科,山东济南250014 [2]山东中医药大学第一临床医学院,山东济南250014 [3]山东中医药大学附属医院老年医学中心,山东济南250014

出　　处：《山东大学学报（医学版）》2022年第11期70-81,共12页Journal of Shandong University:Health Sciences

基　　金：国家重点研发计划中医药现代化研究2018年度重点专项(2018YFC1707402)

摘　　要：目的 利用网络药理学-分子对接技术探究黄芪桂枝五物汤治疗心力衰竭的作用机制。方法 通过中药系统药理学数据库与分析平台(TCMSP)获得黄芪桂枝五物汤药物成分,通过Uniprot数据库获得药物成分对应靶点,通过GeneCard、OMIM、pharmgkb、TTD、DrugBank数据库获得心衰的相关靶点,利用R软件获取黄芪桂枝五物汤与心衰的共同靶点。利用R、Cytoscape、Autodock、pymol软件进行蛋白相互作用(PPI)、基因本体(GO)、京都基因与基因组百科全书(KEGG)、分子对接等分析。结果 获得黄芪桂枝五物汤靶点84个,心衰差异基因1 430个,共同靶点118个。共同靶点的通路富集分析显示主要与丝裂原活化蛋白激酶(MAPK)、白细胞介素-17(IL-17)等信号通路相关,分子对接结果显示,心衰核心靶点与黄芪桂枝五物汤主要成分亲和力较好,能够有效自由结合。结论 黄芪桂枝五物汤中的槲皮素、异鼠李素、刺芒柄花素等成分能够通过抗氧化应激、抗纤维化等作用发挥治疗心衰的作用。黄芪桂枝五物汤可通过多层次、多途径、多靶点发挥对心衰的治疗作用。Objective To explore the mechanism of action of Huangqi Guizhi Wuwu Decoction(the Decoction) in the treatment of heart failure by using network pharmacology-molecular docking technique. Methods The drug components of the Decoction were obtained from the TCMSP database, the targets of drug components were obtained from the Uniprot database, the targets of heart failure were obtained from the GeneCard, OMIM, pharmgkb, TTD, DrugBank databases, and the common targets of the Decoction and heart failure were analyzed with R software. Protein-protein interaction(PPI), gene ontology(GO), Kyoto encyclopedia of genes and genomes(KEGG), and molecular docking analyses were performed using R, Cytoscape, Autodock, and pymol softwares. Results A total of 84 targets of the Decoction, 1,430 differential genes of heart failure, and 118 common targets were obtained. Pathway enrichment analysis of common targets showed that they were mainly related to mitogen activated protein kinase(MAPK) and interleukin-17(IL-17). The results of molecular docking showed that the core target of heart failure had good affinity with the main components of the Decoction, which could bind freely and effectively. Conclusion Quercetin, isorhamnetin and formononetin in the Decoction can play a role in the treatment of heart failure through anti-oxidative stress and anti-fibrosis. The Decoction has multi-level, multi-channel and multi-target effects on heart failure.

关 键 词：心力衰竭 黄芪桂枝五物汤 网络药理学 分子对接 

分 类 号：R285[医药卫生—中药学]