目的 利用網(wǎng)絡藥理學、分子對接方法和GEO芯片探究痹祺膠囊治療類風濕關節(jié)炎的網(wǎng)絡調控機制。方法 使用TCMSP數(shù)據(jù)庫和SwissTarget Prediction平臺收集和篩選痹祺膠囊的活性成分及其作用靶點。使用GEO數(shù)據(jù)庫收集類風濕關節(jié)炎差異基因。將痹祺膠囊作用靶點與類風濕關節(jié)炎差異表達基因取交集確定痹祺膠囊治療類風濕關節(jié)炎的潛在基因。通過Cytoscape 3.8.0軟件構建“中藥-活性成分-靶點-疾病”網(wǎng)絡和蛋白-蛋白相互作用（PPI）網(wǎng)絡。通過R軟件對交集靶點進行基因本體（GO）功能富集分析和京都基因與基因組百科全書（KEGG）通路富集分析。使用AutoDock vina軟件對主要活性成分與核心靶點進行分子對接。結果 篩選得到痹祺膠囊治療類風濕關節(jié)炎的潛在靶點36個，主要涉及鈣離子內穩(wěn)態(tài)、炎癥反應、前列腺素受體的活動等生物過程，通過參與鈣信號通路、腫瘤壞死因子（TNF）信號通路等來發(fā)揮治療類風濕關節(jié)炎的作用，分子對接結果表明排名前10的主要活性成分與核心靶點ADRB2、EGFR、PPARG均具有較強的結合能力。結論 痹祺膠囊治療類風濕關節(jié)炎通過參與鈣信號通路、TNF信號通路等來發(fā)揮治療類風濕關節(jié)炎的作用，排名前10的主要活性成分與核心靶點ADRB2、EGFR、PPARG均具有較強的結合能力。

Objective To predict the mechanism of Rheumatoid arthritis (RA) treated by Biqi Capsules using network pharmacology, molecular docking and GEO chip.Methods TCMSP database and Swisstarget Prediction platform were used to collect and and screen the active components and targets of Biqi capsules. RA differential genes were collected by GEO database. The target of Biqi capsule and the differentially expressed genes of rheumatoid arthritis were intersected to determine the potential genes of Biqi capsule in the treatment of rheumatoid arthritis. The "Drugs-active compounds-targets-disease" network and protein-protein interaction (PPI) network were constructed by Cytoscape 3.8.0 software. Gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) were analyzed for the intersection targets by R software. Molecular docking between main active components and core targets by AutoDock vina software.Results 36 potential targets of Biqi Capsules in treatment of rheumatoid arthritis were screened, which were mainly related to calcium homeostasis, inflammatory reaction, prostaglandin receptor activity and other biological processes, and played a role in treatment of rheumatoid arthritis by participating in calcium signal pathway and TNF signal pathway. the results of molecular docking showed that the top ten main active components had strong binding ability with core targets ADRB2, EGFR and PPARG.Conclusion Biqi Capsules plays a role in the treatment of rheumatoid arthritis by participating in calcium signal pathway and TNF signal pathway, and the results of molecular docking show that the top ten main active ingredients have strong binding ability with core targets ADRB2, EGFR and PPARG.

R285.5

天津市衛(wèi)生和計劃生育委員會中西醫(yī)結合科研課題（2017126）