目的 采用網(wǎng)絡(luò)藥理學(xué)聯(lián)合分子對接技術(shù)探討復(fù)方風(fēng)濕寧片治療類風(fēng)濕性關(guān)節(jié)炎的作用機制。方法 通過TCMSP、BATMAN-TCM、Swiss TargetPrediction數(shù)據(jù)庫及文獻(xiàn)報道收集復(fù)方風(fēng)濕寧片的活性化學(xué)成分靶點，并使用GeneCards數(shù)據(jù)庫檢索類風(fēng)濕關(guān)節(jié)炎的疾病靶點，將兩者取交集，并通過繪制“復(fù)方風(fēng)濕寧片–活性成分–靶點–通路–類風(fēng)濕關(guān)節(jié)炎”網(wǎng)絡(luò)圖。對復(fù)方風(fēng)濕寧片中的活性成分與類風(fēng)濕關(guān)節(jié)炎靶點進(jìn)行分子對接。結(jié)果 通過網(wǎng)絡(luò)藥理學(xué)分析得到復(fù)方風(fēng)濕寧片中有34種活性化學(xué)成分，對應(yīng)1 059個靶點，與類風(fēng)濕關(guān)節(jié)炎靶點交集356個。通過KEGG富集分析發(fā)現(xiàn)復(fù)方風(fēng)濕寧片主要可能在腫瘤壞死因子（TNF）信號通路、白細(xì)胞介素-17（IL-17）信號通路、Th17細(xì)胞分化、T細(xì)胞受體信號通路、Toll樣受體（TLR）信號通路、核因子κB（NF-κB）信號通路、Th1和Th2細(xì)胞分化、Janus激酶（JAK）-信號傳導(dǎo)和轉(zhuǎn)錄激活蛋白3（STAT3）信號通路、B細(xì)胞受體信號通路和類風(fēng)濕性關(guān)節(jié)炎等通路上發(fā)揮治療作用。蛋白激酶B（Akt1）、前列腺素內(nèi)過氧化物酶2（PTGS2）、絲裂原活化蛋白激酶1（MAPK1）、TNF、絲裂原活化蛋白激酶8（MAPK8）、白細(xì)胞介素-6（IL-6）和κB抑制因子激酶β（IKBKB）關(guān)鍵靶點與血根堿、珊瑚菜素、氧基白屈菜季銨堿、二氫白屈菜紅堿、槲皮素、木犀草素、山奈酚、香葉木素、異鼠李素的結(jié)合較好。結(jié)論 復(fù)方風(fēng)濕寧片治療類風(fēng)濕關(guān)節(jié)炎的作用機制可能主要在免疫調(diào)控及抑制炎癥方面發(fā)揮多靶點、多通路治療類風(fēng)濕關(guān)節(jié)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

北京醫(yī)衛(wèi)健康公益基金會-醫(yī)學(xué)科學(xué)研究基金（BXS5-22016）