Inhibitory effect of gardenia fruit alcohol extract on pathogens and its potential mechanism:A study based on UPLC-Q-TOF-MS and network pharmacology
Objective:To investigate the active components in gardenia fruit alcohol extract and their anti-bacterial mechanism,and to perform experiments for validation.Methods:UPLC-Q-TOF-MS was used to identify the main effective constituents in gardenia fruit alcohol extract,and TCMSP,HERB,SymMap,PubChem,SwissTar-getPrediction,DisGeNET,and GeneCards databases were used to predict the intersecting targets between the effec-tive constituents of gardenia fruit alcohol extract and the targets associated with pathogens.STRING database was used to construct a protein-protein interaction network,and Weishengxin online tool was used to perform pathway enrichment analysis and visual analysis.Autodock Tools software and PyMOL software were used to identify the core components for molecular docking and visualization.The antibacterial test was used to validate the key active com-ponents of gardenia fruit alcohol extract that exerted an antibacterial effect.Results:There were 16 active compo-nents of gardenia fruit alcohol extract,with 249 corresponding targets,and there were 1810 targets associated with pathogens and 88 drug-disease intersecting targets.The gene ontology functional enrichment analysis showed that the main biological processes included negative regulation of inflammatory response and protein phosphatase bind-ing,and the Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis obtained the main pathways of the EGFR tyrosine kinase pathway and the cancer pathway.Molecular docking showed a relatively strong binding ca-pacity between the core components and the core targets.The antibacterial test showed that quercetin played an im-portant role during the antibacterial process.Conclusion:Gardenia fruit alcohol extract exerts an inhibitory effect on pathogens through multiple components,targets,and pathways,which provides an experimental basis for further com-prehensive development and application.
gardenia fruitpathogennetwork pharmacologymechanism of actionUPLC-Q-TOF-MS
NETL
NSTL
万方数据
