摘要
目的 基于GEO基因芯片、网络药理学及分子对接技术探讨补肾健脾方治疗2型糖尿病(T2D)的作用机制。方法 通过SymMap、TCMID、TCMSP和TCM-ID数据库获取补肾健脾方有效成分及对应靶点,通过GeneCards、OMIM数据库获取T2D相关靶点,采用Cytoscape3.7.2软件构建蛋白相互作用(PPI)网络。利用GEO数据库筛选T2DM核心靶点基因并进行基因富集分析;通过STRING数据库筛选核心靶点,并进行GO功能和KEGG通路富集分析。最后运用AutoDock软件对有效成分与核心靶点进行分子对接验证。结果 共筛选出补肾健脾方有效成分1 230种,靶点594个,主要活性成分包括β-谷甾醇、山嵛酸酯、槲皮素等。预测得到补肾健脾方治疗T2D潜在作用靶点9个,包括VEGFA、IL1B、COL1A1、CXCL8等。GO功能及KEGG通路富集分析结果显示,补肾健脾方治疗T2D主要涉及糖尿病并发症中的AGE-RAGE信号通路、类风湿关节炎、非酒精性脂肪肝等通路。分子对接结果表明,有效成分β-谷甾醇、槲皮素与VEGFA、IL1B、COL1A1等核心靶点有较强结合能力。结论 补肾健脾方中多种活性成分可能通过AGE-RAGE、类风湿关节炎等信号通路,调控VEGFA、IL1B、COL1A1等靶点治疗T2D。
Objective To explore the mechanism of Bushen Jianpi Prescription in the treatment of type 2 diabetes(T2D)and its complications based on GEO genes chip,network pharmacology and molecular docking technology.Methods Through SymMap,TCMID,TCMSP and TCM-ID databases,the effective components and corresponding targets of Bushen Jianpi Prescription were screened.The disease targets of T2D were obtained from GeneCards and OMIM databases,and the PPI network was constructed through Cytoscape 3.7.2 software.T2D core target genes were screened through GEO database and gene set enrichment was analyzed.Then STRING database was used to filter core targets,and GO analysis and KEGG pathway analysis were conducted.Finally,AutoDock software was used for molecular docking to verify the prediction results.Results In this study,a total of 1230 kinds of active components and 594 drug targets of Bushen Jianpi Prescription were screened out,and the key active components included beta-sitosterol,docosanoate and quercetin,etc.9 potential targets for the treatment of T2D were predicted,including VEGFA,IL1B,COL1A1,CXCL8,etc.The results of GO and KEGG pathway enrichment analysis showed that it mainly involved AGE-RAGE signaling pathway in diabetic complications,rheumatoid arthritis,non-alcoholic fatty liver disease and other pathways in diabetic complications.The results of molecular docking showed that the active components of beta-sitosterol and quercetin could form strong docking with core targets such as IL1B,VEGFA and COL1A1.Conclusion Many key active components in Bushen Jianpi Prescription may regulate VEGFA,COL1A1,IL1B and other core targets to treat T2D through AGE-RAGE signaling pathway in diabetic complications,rheumatoid arthritis and other signal pathways.
作者
潘梓珊
王维强
冯敏瑶
李东玲
刘峰
PAN Zishan;WANG Weiqiang;FENG Minyao;LI Dongling;LIU Feng(Guangzhou University of Chinese Medicine,Guangzhou 510405,China;Clifford Hospital,Guangzhou 511495,China)
出处
《中国中医药图书情报杂志》
2023年第6期29-36,共8页
Chinese Journal of Library and Information Science for Traditional Chinese Medicine
基金
广东省中医药局项目(20191414)
广州市卫生健康科技项目(20202A011031)。
关键词
补肾健脾方
2型糖尿病
GEO基因芯片
网络药理学
分子对接
Bushen Jianpi Prescription
type 2 diabetes
GEO gene chip
network pharmacology
molecular docking
