摘要
目的通过网络药理学以及分子对接技术,阐明玉屏风散辅助治疗糖尿病肾病可能的作用机制。方法采用中药系统药理学数据库与分析平台(TCMSP)检索玉屏风散中黄芪、防风、白术各个中药材的化学成分及其作用靶点;并通过Perl语言将蛋白靶点规范为相应的基因名称;通过人类基因(GeneCards)数据库检索糖尿病肾病的相关基因;两者取交集之后,通过STRING平台构建蛋白互作网络;使用CytoScape软件构建“药物成分-靶点”网络;采用R语言进行基因本体(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析,筛选主要成分、核心靶点进行分子对接研究。结果玉屏风散作用于糖尿病肾病的有效成分有45个,相关靶点基因有143个。KEGG通路富集分析得到46条信号通路。分子对接结果显示,玉屏风散中的主要活性成分槲皮素、山萘酚、异鼠李素和主要靶点白细胞介素-6(IL-6)、过氧化物酶体增殖物激活受体γ(PPARG)、血管内皮生长因子A(VEGFA)有较好的结合活性。结论本研究初步证实了玉屏风散可通过多成分、多靶点、多途径治疗糖尿病肾病,为进一步研究其活性成分及分子机制提供了参考依据。
Objective To clarify the possible mechanism of Yupingfeng Powder in the adjuvant treatment of diabetic nephropathy by network pharmacology and molecular docking technology.Methods The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)was used to search the chemical components and their action targets of Astragalus membranaceus,Paratractylodes and Atractylodes atractylodes in Yupingfeng Powder.The protein targets were normalized to the corresponding gene names by Perl language.Through human genes related genes of diabetic nephropathy(GeneCards)database retrieval.After taking their intersection,the protein interaction network was constructed by STRING platform.The CytoScape software was used to build"pharmaceutical ingredients-targets"network.R language was used to perform gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis,and the main components and core targets were screened for molecular docking study.Results There were 45 active components and 143 related target genes of Yupingfeng Powder in diabetic nephropathy.KEGG pathway enrichment analysis article 46 signaling pathways.Molecular docking results showed that quercetin,kaonafol,isorhamnetin in Yupingfeng Powder had good binding activity with the main targets interleukin-6(IL-6),peroxisome proliferator-activated receptor gamma(PPARG)and vascular endothelial growth factor A(VEGFA).Conclusion This study preliminarly confirmed that Yupingfeng Powder can treat diabetic nephropathy through multi-components,multi-targets and multi-pathways,which provides a reference for further study of its active components and molecular mechanism.
作者
朱富荣
张秀宝
杨静静
ZHU Furong;ZHANG Xiubao;YANG Jingjing(Department of Pharmacy,Qilu Hospital of Shandong University Dezhou Hospital,Shandong Province,Dezhou 253000,China)
出处
《中国当代医药》
CAS
2024年第21期4-9,共6页
China Modern Medicine
基金
山东省中医药科技项目(M-2022116、2021Q014)。
关键词
玉屏风散
糖尿病肾病
网络药理学
分子对接
Yupingfeng Powder
Diabetic nephropathy
Network pharmacology
Molecular docking
