基于网络药理学和分子对接桑叶降糖作用机理研究OA

Objective To investigate the potential active ingredients and mechanism of the hypoglycemic effect for Mori Folium with network pharmacology and molecular docking.Methods The active ingredients of Mori Folium were identified through searching relevant literature,and the 67 active ingredients identified were screened according to their gastrointesti-nal absorption and drug-like properties.Then,the screened ingredients were subjected to target prediction,and the inter-sections between the obtained targets and the targets of hypoglycemic drugs in GenneCards database were obtained.The rela-tionships between the intersected targets were examined,and the component-target-pathway relationship diagram was con-structed.At last,the molecular docking prediction of the important active ingredients and targets was carried out.Results There are 10 potential active ingredients with hypoglycemic effects in Mori Folium,namely isomulberry alkaloids,buck-wheat alkaloids,cyclopentanone B2,3-epibuccinine,1-deoxynogirimycin,quercetin,nigella sativa,mulberry piadenone A,and kaempferol,which are involved in a total of 97 potential targets and 84 signaling pathways.The PPI network analy-sis showed that these key targets,such as AKT1,SRC,EGFR,MMP9,PIK3R,KDR,PTK2,MAPT and so on,were the key targets for the treatment of type 2 diabetes mellitus.The analysis of GO function and KEGG pathway revealed that the main metabolic pathways were nitrogen metabolism,galactose metabolism and ovarian steroidogenesis.Molecular docking results showed that the target protein EGFR binds well to the chemical components norartocarpetin,Quercetin and Kaempferol.Conclusion Based on network pharmacology and molecular docking methods,the active components of mul-berry leaves were screened out,and their mechanism of action was preliminarily explored,providing a theoretical basis for further basic researchs.