基于网络药理学的雷公藤干预Graves眼病潜在靶点预测及作用机制分析

An Analysis of Prediction of Potential Targets and Action Mechanism of Leigongteng in Intervening Graves Ophthalmopathy Based on Network Pharmacology

目的:探讨雷公藤治疗Graves眼病的潜在靶点及其作用机制。方法:应用TCMSP数据库获得雷公藤活性成分、成分靶点,应用GeneCards、OMIM、DisGeNET、TTD数据库获得Graves眼病相关靶点,使用Venn在线工具筛选两者的交集基因,进而用DAVID数据库对交集基因进行基因本体(gene ontology,GO)富集分析和京都基因组百科全书(kyoto encyclopedia of genes and genomes,KEGG)通路富集分析,最后应用SBYBL-X2.0软件进行分子对接验证。结果:筛选出雷公藤活性成分28个,成分靶点143个,疾病靶点150个,交集靶点19个,GO富集分析16条,KEGG通路30条,得出雷公藤重要的活性成分为雷公藤甲素、山柰酚、川陈皮素、β-谷甾醇,重要靶点为前列素内环氧化物合成酶2、肿瘤坏死因子、干扰素γ、转化生长因子-β_(1)、CD40、过氧化体增殖激活受体、细胞黏附分子1。分子对接结果显示对接活性良好。结论:雷公藤的多种活性成分通过调控核因子κB、炎症性肠病信号通路和多个靶点改善Graves眼病,其作用机制是通过调控肠道微生物改善Graves眼病。

Objective:To explore the potential action mechanism of Leigongteng(Radix Tripterygii Wilfordii)in the treatment of Graves ophthalmopathy(GO).Methods:TCMSP database was used to obtain the active components and component targets of Leigongteng.GeneCards,OMIM,DisGeNET and TTD databases were used to obtain the relevant targets of Graves ophthalmopathy.Venn online tool was used to screen the intersection genes of the two,and then DAVID database was used for gene ontology(GO)enrichment analysis and KEGG pathway enrichment analysis of the intersection genes.Finally,SBYBL X2.0 software was used for molecular docking verification.Results:A total of 28 active components of Leigongteng,143 component targets,150 disease targets,19 intersection targets,16 GO analysis and 30 KEGG pathways were screened.It was concluded that the important active components of Leigongteng were triptolide,kaempferol,tangerine peelβ-Sitosterol;the important targets included PTGS2,TNF,IFNG,TGFB1,CD40,PPARG and ICAM1.The results of molecular docking showed that the docking activity was good.Conclusion:Many active components of Leigongteng can regulate nuclear factor kappa-B(NF-κB),inflammatory bowel disease signal pathway and multiple targets to improve Graves ophthalmopathy.Its potential mechanism is to improve GO by regulating intestinal microorganisms.