Discussion on the effect and mechanism of selenide on pneumonia based on network pharmacology and molecular docking
The target and mechanism of selenide on pneumonia were analyzed by network pharmacology and molecu-lar docking technology.Pubchem,Swiss Target Prediction and other databases were used to screen common selenides and their targets,and then the pneumonia-related targets were obtained through GeneCards and TTD databases,and the common targets were obtained by the intersection of them.Protein interaction network diagram is obtained by u-sing String database,and the interaction relationship between targets and key targets are obtained;GO and KEGG pathways of key targets were enriched by Metascape database,and Cytoscape was used as the interaction network di-agram.Finally,the molecular docking was verified by AutoDock Vina.32 common selenides were screened out,and 79 common targets of selenides and pneumonia were found.Three key selenides(2-Methoxy-2-phenylpropyl)(phe-nyl)selenium,(4-acetyminophenyl)dihydroxy selenium and Se-Propylselenocysteine(PSC)and four core targets(STAT3,SRC,PTGS2 and MAPK3)were finally screened out through topological analysis and enrichment analysis of GO and KEGG pathways,and it was revealed that they could inhibit STAT3,PI3 K/MAPK3.The results of molec-ular docking show that the binding effect is good.Selenium has certain therapeutic effect on pneumonia,which lays a theoretical foundation for further exploring the mechanism of selenium in treating pneumonia.
network pharmacologyselenidespneumoniatargetenrichment analysismechanism of action
万方数据
维普
