基于网络药理学探讨四黄散治疗膝关节滑膜炎的作用机制  

Mechanism of Sihuang powder in the treatment of knee synovitis by network pharmacology

作　　者：刘秋佳 李伟红 刘小磊 刘悦 汤晓冬 Liu Qiujia;Li Weihong;Liu Xiaolei;Liu yue;Tang Xiaodong(Department of Traditional Chinese Medicine,Naval Medical University,Shanghai 200433,China)

机构地区：[1]海军军医大学中医系,上海200433 [2]海军军医大学国际军事医学交流中心,上海200433

出　　处：《海军医学杂志》2024年第11期1178-1185,共8页Journal of Navy Medicine

基　　金：“十三五”军队重点学科专业建设项目支持(2020SZ21-12)。

摘　　要：目的运用网络药理学探讨四黄散治疗膝关节滑膜炎的作用机制。方法通过TCMSP数据库获取四黄散组成药物的活性成分及对应靶标,利用Cytoscape 3.9.1软件绘制“药物⁃活性成分⁃靶点”网络图,并与OMIM、Gene Cars数据库所获疾病靶点交集以得到核心靶点,基于STRING平台构建靶点蛋白质⁃蛋白质相互作用网络。通过DAVID数据库对核心靶点进行基因本体论(GO)/京都基因和基因组百科全书(KEGG)可视化分析,得到核心生物功能和相关信号通路。将所得结果导入Autodock Tools软件,使用AutoDock Vina进行分子对接分析,运用PyMol绘制3D图。结果分析得到四黄散68个活性成分和244个药物靶点,核心靶点有肿瘤坏死因子(TNF)、白细胞介素6(IL⁃6)、蛋白激酶B1(AKT1)、肿瘤蛋白p53(TP53)等18个;KEGG富集分析获得118条信号通路;分子对接结果显示四黄散中成分槲皮素、山柰酚、黄芩苷元、汉黄芩素与关键靶点亲和力强。结论四黄散治疗膝关节滑膜炎具有成分多元、靶点多样、多信号通路等特点,为进一步的基础实验研究奠定了基础,也为后续挖掘此方治疗膝关节滑膜炎的作用机制提供了参考。Objective To explore the mechanism of Sihuang powder(Radix et Rhizoma Rhei,Cortex Phellodendri,Radix Scutellariae and Fructus Gardeniae)in the treatment of knee synovitis by network pharmacology.Methods The active ingredients and corresponding targets of Sihuang powder were obtained from TCMSP database.A network diagram including medicines,active ingredients and targets was drawn by Cytoscape 3.9.1 software.The core targets were obtained by intersecting with the disease targets obtained from OMIM and Gene Cars databases.A target interaction network was constructed based on STRING database,and the GO/KEGG(gene ontology/Kyoto encyclopedia of genes and genomes)visualization analysis was performed on the core targets through DAVID database.The main chemical components and core target information were queried in TCMSP database and PDB database,and the results were imported into Autodock Tools.Autodock Vina was used for molecular docking analysis,and PyMol was used to draw 3D maps.Results A total of 68 active ingredients and 244 drug targets of Sihuang powder were obtained,including 18 core targets,such as tumor necrosis factor(TNF),interleukin⁃6(IL⁃6),protein kinase B1(AKT1)and tumor protein p53(TP53).A total of 118 signal pathways were obtained by KEGG enrichment analysis.The molecular docking results showed that quercetin,kaempferol,baicalein and wogonin in Sihuang powder had strong affinity with key targets.Conclusion Sihuang powder has the characteristics of multi⁃component,multi⁃target,and multi⁃pathway in the treatment of knee synovitis.It lays a foundation for further basic experimental research,and provides a reference for the exploration of the mechanism of this prescription in the treatment of knee synovitis.

关 键 词：四黄散 膝关节滑膜炎 网络药理学 分子对接 

分 类 号：R961.1[医药卫生—药理学]