[1] WANG Zongqing HOU Wei NIE Hongke SONG NaWANG Xingqiang TANG XiaohuPENG Jiangyun,.Discussion on Wenyang Tongluo Recipe Mechanism of Rheumatoid Arthritis Treatment Based on Network Pharmacology and Molecular Docking [J]. Journal of Shaanxi University of Traditional Chinese Medicine, 2021, (05): 120-129. [doi: 10.13424/j.cnki.jsctcm.2021.05.024]
Discussion on Wenyang Tongluo Recipe Mechanism of Rheumatoid Arthritis Treatment Based on Network Pharmacology and Molecular Docking
- Article number:
- 2096-1340(2021)05-0120-10
- ZTFLH:
- R285
- Code:
- A
- Abstract:
- Objective To explore the mechanism of Wenyang Tongluo Recipe in the treatment of rheumatoid arthritis (RA) based on network pharmacology and molecular docking.Methods TCMSP database was used to mine the chemical components and action targets of traditional Chinese medicine in Wenyang Tongluo formula,which were standardized by Uniprot database.RA related genes were obtained through genecards database,and the common targets were screened.The active component key target network was constructed by Cytoscape 3.7.2 software,and the proteinprotein interaction data were downloaded from STRING database,The core targets of the interaction map were screened,and the go function and KEGG pathway enrichment were analyzed by using the R language clusterProfiler package.According to the relevant node parameters of compounds and proteins,the molecular docking of core proteins and active components was carried out,and compared with commonly used clinical therapeutic drugs for RA to verify the results of network analysis.Results 119 compounds and 383 corresponding targets were screened.The key components included quercetin,luteolin and kaempferol,and the key targets included interleukin 6/1β、 Monocyte chemoattractant protein 1,etc.After mapping with disease targets,57 were obtained.Go function enrichment analysis,including 1399 biological processes,60 molecular functions and 22 cell composition; KEGG pathway enrichment analysis revealed 123 pathways,mainly involving AGERAGE signaling pathway,tumor necrosis factor signaling pathway and IL-17 signaling pathway in diabetic complications.Molecular docking shows that the key pharmacodynamic molecules of Wenyang Tongluo recipe have good binding ability with the core target,and there is no obvious difference with the positive control drugs methotrexate tablets and leflunomide tablets,indicating that the prediction results are reliable.Conclusion Wenyang Tongluo recipe has the characteristics of multicomponent,multitarget and multichannel in the treatment of RA,which lays a foundation for further study of its mechanism.
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Memo
基金项目：国家中医药管理局国家中医临床研究基地（云南）建设项目：（类风湿关节炎）;中医药行业科研专项项目(201507001-07);国家自然科学基金项目(81960863);云南省名医专项(YNER-MY-2018-045)；云南省中西医风湿病研究所课题(2017NS165)