| 引用本文:李钰鑫，阎美卉，李森.基于网络药理学与分子对接研究黄芪-附子治疗慢性心力衰竭的机制[J].世界中医药,2022,(16):. |
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| 基于网络药理学与分子对接研究黄芪-附子治疗慢性心力衰竭的机制 |
| Mechanism of Radix Astragali seu Hedysari-Radix Aconiti Lateralis Preparata in the Treatment of Chronic Heart Failure Based on Network Pharmacology and Molecular Docking |
| 投稿时间：2020-11-25 |
| DOI：10.3969/j.issn.1673-7202.2022.16.005 |
| 中文关键词: 网络药理学 黄芪-附子 慢性心力衰竭 作用机制 分子对接 系统药理学 中药药对 蛋白质-蛋白质相互作用网络 |
| English Keywords:Network pharmacology Radix Astragali seu Hedysari-Radix Aconiti Lateralis Preparata Chronic heart failure Mechanism Molecular docking System pharmacology Chinese medicinal combining Protein-protein interaction network |
| 基金项目:国家自然科学基金青年科学基金项目（81703942）；国家自然科学基金面上项目（81973698） |
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| 中文摘要: |
| 目的：采用网络药理学及分子对接研究“黄芪-附子”药对治疗慢性心力衰竭的作用靶点及其相关信号通路，并进一步分析其治疗慢性心力衰竭的潜在机制。方法：通过中药系统药理学数据库与分析平台（TCMSP）、Uniprot数据库等获取黄芪-附子药对的活性成分和作用靶点，并在人类基因数据库（GeneCards）、在线人类孟德尔遗传数据库（Online Mendelian Inheritance in Man，OMIM）下载慢性心力衰竭的疾病靶点，筛选出二者的共同靶点，利用String数据库获得蛋白质-蛋白质相互作用（PPI）信息，并于Cytoscape 3.8.0构建可视化网络，计算各靶点的Degree值，取其前5位进行分子对接反向验证，进而利用David数据库进行基因本体（GO）富集分析和京都基因和基因组百科全书（KEGG）富集分析，最后将所有信息输入Cytoscape 3.8.0构建“黄芪附子-活性成分-靶点-通路-疾病”网络。结果：本研究共获得黄芪-附子活性成分41个，慢性心力衰竭靶点13 051个，Degree前5位为AKT1，MAPK1，JUN，TP53，TNF，基于以上信息，构建了PPI网络，该网络主要与转录调控、信号转导、凋亡调控、细胞增殖等生物学过程相关，其KEGG分析主要聚集在HIF-1信号通路，MAPK信号通路、PI3K-AKT信号通路等心力衰竭相关信号通路。结论：黄芪-附子药对可通过AKT1、MAPK1、JUN等多个靶点，通过HIF-1、MAPK等多信号通路对治疗慢性心力衰竭起到积极作用。 |
| English Summary: |
| To study the therapeutic targets and related signal pathways of Radix Astragali seu Hedysari-Radix Aconiti Lateralis Preparata in the treatment of chronic heart failure by network pharmacology and molecular docking for a better understanding of its potential mechanism.Methods:Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) and UniProt were used to obtain the components and targets of Radix Astragali seu Hedysari-Radix Aconiti Lateralis Preparata.The targets of chronic heart failure were downloaded from GeneCards and Online Mendelian Inheritance in Man(OMIM).The common targets of Radix Astragali seu Hedysari-Radix Aconiti Lateralis Preparata and chronic heart failure were then identified.The protein-protein interactions(PPIs) were obtained by String,and the network was visualized in Cytoscape 3.8.0 to calculate the Degree value of each target.The top five Degree values were selected for molecular docking.Furthermore,the Gene ontology(GO) and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analyses were performed by David.Finally,all the information was input into Cytoscape 3.8.0 to construct the “Radix Astragali seu Hedysari-Radix Aconiti Lateralis Preparata-components-targets-pathways-disease” network.Results:A total of 41 components from Radix Astragali seu Hedysari-Radix Aconiti Lateralis Preparata and 13 051 chronic heart failure targets were obtained.The top five targets were AKT1,MAPK1,JUN,TP53 and TNF in terms of Degree.Based on the above data,we constructed a PPI network,which was mainly related to transcription regulation,signal transduction,apoptosis regulation,cell proliferation and other biological processes.KEGG analysis indicated target enrichments in HIF-1,MAPK,PI3K-AKT,and other heart failure-related signal pathways.Conclusion:Radix Astragali seu Hedysari-Radix Aconiti Lateralis Preparata could play a positive role in the treatment of chronic heart failure through multiple targets,such as AKT1,MAPK1,and JUN and multiple signal pathways,such as HIF-1 and MAPK signal pathways.The potential mechanism discussed in this study could provide reference for further experimental research. |
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