目的 基于網(wǎng)絡藥理學和分子對接技術探討三黃糖腎康治療2型糖尿病（T2DM）的分子作用機制。方法 利用TCMSP、SymMap、TCMID和TCM Databases@Taiwan數(shù)據(jù)庫采集三黃糖腎康的有效成分，通過檢索文獻來補充水蛭的有效成分，在上述數(shù)據(jù)庫及Swiss Target Prediction數(shù)據(jù)平臺獲取對應的靶點。借助GeneCards、OMIM、TTD數(shù)據(jù)庫獲取T2DM相關靶點。將藥物–疾病共同靶點利用String 11.5和Cytoscape 3.9.0構建蛋白互作網(wǎng)絡（PPI）圖，篩選出核心靶點，通過DAVID數(shù)據(jù)庫進行基因本體（GO）和京都基因與基因組百科全書（KEGG）分析。利用Autodock tools 1.5.7將PPI網(wǎng)絡圖前3位靶點和對應的有效成分進行分子對接。結果 三黃糖腎康治療T2DM的有效成分有63個，159個潛在靶點，通過篩選得到STAT3、INS、AKT1等54個核心靶點，槲皮素、小檗堿、木犀草素、大黃酸等58個關鍵成分。核心靶點主要涉及HIF-1信號通路、PI3K-Akt信號通路、TNF信號通路等115條通路。STAT3與大黃酸、AKT1與槲皮素和木犀草素、INS與小檗堿分子對接良好。結論 三黃糖腎康可通過多個靶點、多條通路對2型糖尿病發(fā)揮調控作用。

Objective To explore the molecular mechanism of Sanhuangtangshenkang in the treatment of type 2 diabetes mellitus based on network pharmacology and molecular docking technology. Methods The active components of Sanhuangtangshenkang were collected from TCMSP, SymMap, TCMID and TCM Databases@Taiwan databases, and the active components of Leech were supplemented by literature retrieval. The corresponding targets were obtained from the above databases and the Swiss Target Prediction data platform. GeneCards, OMIM, and TTD databases were used to obtain T2DM related targets. PPI map was constructed using String 11.5 and Cytoscape 3.9.0 for drug-disease co-targets, and core targets were screened out for GO and KEGG analysis through DAVID database. Using Autodock Tools1.5.7, the top three targets in PPI network diagram and corresponding active components were docked. Results There were 63 active components and 159 potential targets of Sanhuangtangshenkang in treatment of T2DM, including 54 core targets such as STAT3, INS, and AKT1, and 58 key components such as quercetin, berberine, luteolin, and rhein. The core targets mainly involve 115 pathways including HIF-1 signaling pathway, PI3K-Akt signaling pathway, and TNF signaling pathway. STAT3 with rhein, AKT1 with quercetin and luteolin, respectively, and INS with berberine were well docked. Conclusion Sanhuangtangshenkang can regulate type 2 diabetes through multiple targets and pathways.

R977