目的 基于網(wǎng)絡(luò)藥理學(xué)和分子對接技術(shù)探討槲皮素治療2型糖尿?。═2DM）的作用機(jī)制。方法 通過TCMSP和PharmMapper數(shù)據(jù)庫查詢槲皮素的作用靶點，Genecards和CTD數(shù)據(jù)庫收集T2DM的相關(guān)靶點，求出槲皮素-T2DM交集靶點并利用STRING和DAVID數(shù)據(jù)庫對交集靶點進(jìn)行通路分析，使用Cytoscape 3.6.1軟件進(jìn)行"靶點-通路"網(wǎng)絡(luò)的構(gòu)建，利用Auto Dock Vina進(jìn)行分子對接預(yù)測槲皮素對T2DM作用靶點的結(jié)合能。結(jié)果 篩選出槲皮素的潛在靶點312個，與T2DM相關(guān)的靶點121個，核心靶點6個：NOS3、CYP1B1、NOS2、TGFB1、TTR和CDKN1A。KEGG信號通路30條，涉及toll樣受體信號通路、MAPK信號通路、胰島素信號通路等。分子對接結(jié)果顯示，槲皮素與6個核心基因的分子對接親和力均遠(yuǎn)小于-20 kJ/mol，結(jié)合活性較好。結(jié)論 槲皮素治療T2DM具有多靶點、多通路的作用特點，可能是通過作用于NOS3、CYP1B1、NOS2等核心基因調(diào)控toll樣受體信號通路、MAPK信號通路、胰島素信號通路等發(fā)揮作用。

objective To explore the mechanism of quercetin in the treatment of type 2 diabetes mellitus (T2DM) based on network pharmacology and molecular docking technique. Methods Through TCMSP and PharmMapper database query targets of quercetin, Genecards and CTD database to collect the related targets of T2DM, quercetin-T2DM intersection target was obtained and the pathway of intersection target was analyzed by using STRING and DAVID database, using Cytoscape 3.6.1 software "target-pathway" to construct a network diagram, using the Auto Dock Vina molecular docking projections quercetin associativity of T2DM targets. Results 312 potential targets of quercetin were screened out. There were 121 T2DM related targets, six core targets (NOS3, CYP1B1, NOS2, TGFB1, TTR and CDKN1A), 30 KEGG signaling pathways including toll like receptor signaling pathway, MAPK signaling pathway and insulin signaling pathway. The results of molecular docking showed that the affinity of quercetin to the six core genes was far less than -20 kJ/mol, and the binding activity was good. Conclusion Quercetin in the treatment of T2DM has the characteristics of multi-target and multi-pathway. Its possible mechanism of action is through the intervention of NOS3, CYP1B1, NOS2 and other core genes in regulating toll-like receptor signaling pathway, MAPK signaling pathway and insulin signaling pathway.

R961

蘇州市“科教興衛(wèi)”青年課題（KJXW2019044）；蘇州市科技局指導(dǎo)性課題（SYSD2019149）；蘇州市中醫(yī)醫(yī)院院級科技計劃項目（YQN2017004）