Mechanism of Mongolian medicine Xinheisugawurile in the treatment of cerebral ischemia-reperfusion injury based on network pharmacology and molecular docking technology
Objective:To explore the mechanism of Mongolian medicine Xinheisugawurile in the treatment of cerebral ischemia-reperfusion injury.Methods:The drug and disease targets were pre-dicted by TCMSP,BATMAN and GeneCards databases,respectively.Venny was used to obtain their common targets,and STRING software was used to construct PPI network.The David database was used to carry out GO biological and KEGG pathway enrichment studies,and Cytoscape software was used to construct an active ingredient-key target-important pathway network.Finally,molecular docking was performed using Autodock and other software.Results:A total of 30 key targets,15 im-portant biological processes,20 core KEGG pathways and 10 main active components were obtained for the treatment of cerebral ischemia-reperfusion injury by Mongolian medicine Xinheisugawurile.The results of molecular docking showed that the binding ability of the main active components to the key targets was≤1.2 kcal/mol.Conclusion:Network pharmacology analysis shows that Mongolian medi-cine Xinheisugawurile mainly acts on estrogen receptor α(ESR1),nuclear factor-κBp65(RELA),tumor protein p53(TP53)and protein kinase B1(AKT1)through β-carotene,baicalein,piperine,acacetin and other active ingredients.It regulates apoptosis,tumor necrosis factor alpha(TNF-α),hypoxia-inducible factor-1(HIF-1),phosphatidylinositol-3 kinase(PI3K)-AKT,estrogen and other signaling pathways,participates in the positive and negative regulation of apoptosis,inflam-matory response,angiogenesis,hypoxia and other biological processes,so as to achieve the effect of treating cerebral ischemia-reperfusion injury.
万方数据
维普
