Exploration of the molecular mechanism of Chaihu Injection in allaying the fever based on network pharmacology and molecular docking
Objective To study the potential mechanism of the antipyretic effect of Chaihu Injection(CI)using network pharmacology methods and molecular docking.Methods The traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP)and supplement literature were used to search to obtain the active ingredients and potential targets of bupleurum chinense.GeneCards,DurgBank,and the online Mendelian inheritance in man(OMMI)databases were used to search for fever-related targets.The protein-protein interaction(PPI)analysis was performed on the intersection targets using STRING database.A network of"Chaihu injection-active ingredients-target genes-fever"was established in Cytoscape.The David database was used to conduct the signaling pathway analysis of gene ontology(GO)and the Kyoto encyclopedia of genes and Genomes(KEGG).Finally,AutoDock Vina was used to simulate molecular docking.Results There were a total of 17 active ingredients,210 action targets,1208 fever targets,and 102 intersection targets in Chaihu.There were 747 GO entries,involving biological processes such as response to external stimuli,inflammatory response,cell response to tumor necrosis factor,and lipopolysaccharide response.There were 156 KEGG pathways,involving AGE-RAGE,TNF,IL-17,and other signaling pathways.The components and targets in molecular docking could be well combined.Conclusion Chaihu Injection has a therapeutic effect on fever due to its multiple components,targets,and pathways.
国家科技期刊平台
NSTL
万方数据
