[1]黄莉谭辉孙宇洁 李慧 董昌武.基于网络药理学及分子对接探讨怀牛膝治疗高血压的物质基础和作用机制[J].现代中医药,2023,(03):097-105.[doi:10.13424/j.cnki.mtcm.2023.03.019]
　HUANG Li TAN Hui SUN Yujie LI Hui DONG Changwu.Material Basis and Action mechanism of Huainiuxi in Treating Hypertension Based on Network Pharmacology and Molecular Docking[J].Modern Traditional Chinese Medicine,2023,(03):097-105.[doi:10.13424/j.cnki.mtcm.2023.03.019]
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基于网络药理学及分子对接探讨怀牛膝治疗高血压的物质基础和作用机制()
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《现代中医药》[ISSN:1006-6977/CN:61-1281/TN]

卷:
期数:
2023年03期
页码:
097-105
栏目:
出版日期:
2023-05-24

文章信息/Info

Title:
Material Basis and Action mechanism of Huainiuxi in Treating Hypertension Based on Network Pharmacology and Molecular Docking
文章编号:
1672-0571(2023)03-0097-09
作者:
黄莉1谭辉2孙宇洁1 李慧1 董昌武1
1.安徽中医药大学，安徽 合肥 230012；
2.安徽省中医药科学院中医基础理论研究所，安徽 合肥 230038
Author(s):
HUANG Li1 TAN Hui2 SUN Yujie1 LI Hui1 DONG Changwu1
1.Anhui University of Chinese Medicine,Hefei 230012,China；
2.Institute of Basic Theory of Chinese Medicine,Anhui College of Chinese Medicine,Hefei 230038,China
关键词:
关键词：怀牛膝; 高血压; 网络药理学; 分子对接; 作用机制
Keywords:
Key words:Huainiuxi; Hypertension; Network pharmacology; Molecular docking; Mechanism of action
分类号:
R282.6
DOI:
10.13424/j.cnki.mtcm.2023.03.019
文献标志码:
A
摘要:
摘 要：目的 基于网络药理学方法探讨怀牛膝治疗高血压的作用机制。方法 通过中药系统药理学分析平台（TCMSP）筛选怀牛膝的有效成分及相应的靶蛋白，通过Genecards、OMIM数据库获取高血压的靶点，利用Venn在线软件获取怀牛膝高血压交集靶点，运用Cytoscape 3.7.2软件构建“化合物靶点疾病”网络图。使用String数据库绘制蛋白互作（PPI）网络，利用David数据库和R语言3.6.3中clusterProfiler包对关键靶点进行GO功能富集及KEGG通路分析，通过分子对接技术将怀牛膝主要活性成分与关键靶点进行对接验证。结果 共筛选出怀牛膝潜在活性成分16个，有效作用靶点183个。通过Venn图获得76个药物疾病共同靶点，PPI网络发现IL6、AKT1、VEGFA、CCL2、MMP9、NOS3、PTGS2等可能是怀牛膝治疗高血压的关键靶点。GO分析共包含396条富集结果，其中生物过程307条，分子功能54条，细胞组成35条。KEGG通路分析发现60个条目。分子对接筛选得到与靶点有结合潜力的化合物。结论 怀牛膝通过“多成分多靶点多途径”发挥降压作用，为深入研究其物质基础及作用机制奠定了基础，也为后期实验验证和临床应用提供了相关依据。
Abstract:
Abstract：Objective To explore the mechanism of action of Huainiuxi in treating hypertension based on network pharmacology methods.Methods The effective components and corresponding target proteins of Huainiuxi were screened through the systems pharmacology analysis platform of traditional Chinese medicine (TCMSP),the targets of hypertension were obtained through Genecards and OMIM databases,the intersection targets of Huainiuxihypertension were obtained using Venn online software,and the “compound-target-disease” network diagram was constructed by using Cytoscape 3.7.2 software.Using String database to draw protein interaction (PPI) networks,using David database and cluster Profiler package in R language 3.6.3 to conduct GO functional enrichment and KEGG pathway analysis on key targets,and verifies the docking of the main active ingredients of Huainiuxi with key targets through molecular docking technology.Results A total of 16 potential active ingredients and 183 effective targets of Huainiuxi were screened.76 common targets of drug diseases were obtained through Venn plot,and PPI network found that IL6,AKT1,VEGFA,CCL2,MMP9,NOS3,PTGS2,etc.may be the key targets for the treatment of hypertension in Huainiuxi.GO analysis included a total of 396 enrichment results,including 307 biological processes,54 molecular functions,and 35 cell compositions.KEGG pathway analysis found 60 entries.Molecular docking screening yields compounds with binding potential to the target.Conclusion Huainiuxi exerts a hypotensive effect through “multiple components-multiple-targets-multiple pathways”,laying the foundation for in-depth research on its material basis and mechanism of action,and also providing relevant basis for later experimental verification and clinical application.

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备注/Memo

备注/Memo:
基金项目：国家自然科学基金项目（82174277）；安徽省教育厅自然科学重大项目（KJ2020ZD41)
更新日期/Last Update: 2023-05-18