[关键词]
[摘要]
目的 利用网络药理学、分子对接方法和GEO芯片探究痹祺胶囊治疗类风湿关节炎的网络调控机制。方法 使用TCMSP数据库和SwissTarget Prediction平台收集和筛选痹祺胶囊的活性成分及其作用靶点。使用GEO数据库收集类风湿关节炎差异基因。将痹祺胶囊作用靶点与类风湿关节炎差异表达基因取交集确定痹祺胶囊治疗类风湿关节炎的潜在基因。通过Cytoscape 3.8.0软件构建“中药-活性成分-靶点-疾病”网络和蛋白-蛋白相互作用(PPI)网络。通过R软件对交集靶点进行基因本体(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。使用AutoDock vina软件对主要活性成分与核心靶点进行分子对接。结果 筛选得到痹祺胶囊治疗类风湿关节炎的潜在靶点36个,主要涉及钙离子内稳态、炎症反应、前列腺素受体的活动等生物过程,通过参与钙信号通路、肿瘤坏死因子(TNF)信号通路等来发挥治疗类风湿关节炎的作用,分子对接结果表明排名前10的主要活性成分与核心靶点ADRB2、EGFR、PPARG均具有较强的结合能力。结论 痹祺胶囊治疗类风湿关节炎通过参与钙信号通路、TNF信号通路等来发挥治疗类风湿关节炎的作用,排名前10的主要活性成分与核心靶点ADRB2、EGFR、PPARG均具有较强的结合能力。
[Key word]
[Abstract]
Objective To predict the mechanism of Rheumatoid arthritis (RA) treated by Biqi Capsules using network pharmacology, molecular docking and GEO chip.Methods TCMSP database and Swisstarget Prediction platform were used to collect and and screen the active components and targets of Biqi capsules. RA differential genes were collected by GEO database. The target of Biqi capsule and the differentially expressed genes of rheumatoid arthritis were intersected to determine the potential genes of Biqi capsule in the treatment of rheumatoid arthritis. The "Drugs-active compounds-targets-disease" network and protein-protein interaction (PPI) network were constructed by Cytoscape 3.8.0 software. Gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) were analyzed for the intersection targets by R software. Molecular docking between main active components and core targets by AutoDock vina software.Results 36 potential targets of Biqi Capsules in treatment of rheumatoid arthritis were screened, which were mainly related to calcium homeostasis, inflammatory reaction, prostaglandin receptor activity and other biological processes, and played a role in treatment of rheumatoid arthritis by participating in calcium signal pathway and TNF signal pathway. the results of molecular docking showed that the top ten main active components had strong binding ability with core targets ADRB2, EGFR and PPARG.Conclusion Biqi Capsules plays a role in the treatment of rheumatoid arthritis by participating in calcium signal pathway and TNF signal pathway, and the results of molecular docking show that the top ten main active ingredients have strong binding ability with core targets ADRB2, EGFR and PPARG.
[中图分类号]
R285.5
[基金项目]
天津市卫生和计划生育委员会中西医结合科研课题(2017126)