目的 探討小兒豉翹清熱顆粒治療甲型流感的網絡藥理學的作用機制。方法：運用TCMSP數(shù)據(jù)庫篩選藥物成分及靶點，并借助GeneCards、OMIM、TTD、PharmGkb數(shù)據(jù)庫檢索疾病靶點，利用Cytoscape 3.9.1構建“藥物-活性成分-靶點”網絡圖，借助STRING構建蛋白互作網絡圖，篩選出核心靶點，通過DAVID數(shù)據(jù)庫進行基因本體（GO）富集分析和京都基因與基因組百科全書（KEGG）富集分析，借助AutoDockTool運算分子對接結合能。結果 篩選出245種藥物活性成分，269個藥物靶點，2 045個疾病靶點，交集靶點131個。確定槲皮素、山柰酚、木犀草素、β-谷甾醇、豆甾醇、黃芩素、漢黃芩素、柚皮素為藥物的關鍵成分，確定核心靶點為蛋白激酶B1（AKT1）、腫瘤壞死因子（TNF）、TP53、白細胞介素-6（IL-6）、IL-1B、血管內皮生長因子A（VEGFA）、信號轉導和轉錄激活因子3（STAT3）、胱天蛋白酶3（CASP3）。分子對接結果顯示各活性成分與潛在靶點結合能力良好。結論 小兒豉翹清熱顆粒作用機制復雜，可能與Toll樣受體信號通路相關，可通過聯(lián)合多靶點、多通路、多效應達到治療甲型流感的作用。

Objective To explore the network pharmacological mechanism of Xiaoer Chiqiao Qingre Granules in treatment of influenza A. Methods Drug components and targets were screened by TCMSP database, disease targets were searched by GeneCards, OMIM, TTD, and PharmGkb databases, drug-active ingredient-target network diagram was constructed by Cytoscape 3.9.1, protein interaction network diagram was constructed by STRING, and core targets were screened. GO enrichment analysis and KEGG pathway analysis were carried out through DAVID database, and molecular docking binding energy was calculated by AutoDockTool. Results 245 Active components, 269 drug targets, 2 045 disease targets and 131 intersection targets were screened. Quercetin, kaempferol, luteolin, β-sitosterol, stigmasterol, baicalein, wogonin and naringin were identified as the key components, and the core targets were AKT1, TNF, TP53, IL-6, IL-1B, VEGFA, STAT3 and CASP3. The results of molecular docking showed that the active components had good binding ability to potential targets. Conclusion The mechanism of Xiaoer Chiqiao Qingre Granule is complex, which may be related to the signal pathway of Toll-like receptor. It can be used to treat influenza A through the combination of multi-target, multi-pathway and multi-effect.

R285

廣西壯瑤藥重點實驗室課題(GXZYKF2020A-11)