目的 采用网络药理学联合分子对接技术探讨复方风湿宁片治疗类风湿性关节炎的作用机制。方法 通过TCMSP、BATMAN-TCM、Swiss TargetPrediction数据库及文献报道收集复方风湿宁片的活性化学成分靶点，并使用GeneCards数据库检索类风湿关节炎的疾病靶点，将两者取交集，并通过绘制“复方风湿宁片–活性成分–靶点–通路–类风湿关节炎”网络图。对复方风湿宁片中的活性成分与类风湿关节炎靶点进行分子对接。结果 通过网络药理学分析得到复方风湿宁片中有34种活性化学成分，对应1 059个靶点，与类风湿关节炎靶点交集356个。通过KEGG富集分析发现复方风湿宁片主要可能在肿瘤坏死因子（TNF）信号通路、白细胞介素-17（IL-17）信号通路、Th17细胞分化、T细胞受体信号通路、Toll样受体（TLR）信号通路、核因子κB（NF-κB）信号通路、Th1和Th2细胞分化、Janus激酶（JAK）-信号传导和转录激活蛋白3（STAT3）信号通路、B细胞受体信号通路和类风湿性关节炎等通路上发挥治疗作用。蛋白激酶B（Akt1）、前列腺素内过氧化物酶2（PTGS2）、丝裂原活化蛋白激酶1（MAPK1）、TNF、丝裂原活化蛋白激酶8（MAPK8）、白细胞介素-6（IL-6）和κB抑制因子激酶β（IKBKB）关键靶点与血根碱、珊瑚菜素、氧基白屈菜季铵碱、二氢白屈菜红碱、槲皮素、木犀草素、山奈酚、香叶木素、异鼠李素的结合较好。结论 复方风湿宁片治疗类风湿关节炎的作用机制可能主要在免疫调控及抑制炎症方面发挥多靶点、多通路治疗类风湿关节炎作用。

Objective To explore the mechanism of Compound Fengshining Tablets in treatment of rheumatoid arthritis through network pharmacology and molecular docking. Methods The active chemical component targets of Compound Fengshining Tablets were collected through TCMSP, BATMAN-TCM, and Swiss TargetPrediction database and literature reports, and the disease targets of rheumatoid arthritis were retrieved using GeneCards database, and the intersection of the two was selected. The network diagram of "Compound Fengshining Tablets-active chemical constituents-target-pathway-rheumatoid arthritis" was drawn. The active chemical constituents of Compound Fengshining Tablets were molecular-docked with rheumatoid arthritis targets. Results Through network pharmacological analysis, it was found that there were 34 active chemical components in compound Fengshining Tablets, corresponding to 1 059 targets, and 356 targets intersected with rheumatoid arthritis. Through KEGG enrichment analysis, it was found that the treatment of rheumatoid arthritis by Compound Fengshining Tablets was mainly related to TNF signaling pathway, IL-17 signaling pathway, Th17 cell differentiation, T cell receptor signaling pathway, Toll-like receptor signaling pathway, and NF-κB signaling pathway, Th1 and Th2 cell differentiation, JAK-STAT signaling pathway, B cell receptor signaling pathway and rheumatoid arthritis pathway. The key targets of AKT1, PTGS2, MAPK1, TNF, MAPK8, IL-6, and IKBKB were well combined with the active chemical constituents of sanguinarine, phellopterin, oxychelerythrine, dihydrochelerythrine, quercetin, luteolin, kaempferol, diosmetin, isorhamnetin. Conclusion Mechanism of the treatment of rheumatoid arthritis with Compound Fengshining Tablets may mainly play a multi-target and multi-path role in immune regulation and inhibition of inflammation.

R285.5

北京医卫健康公益基金会-医学科学研究基金（BXS5-22016）