Active Components and Mechanism of Vitex Negundo Leaves against Influenza Based on Network Pharmacology and Molecular Docking
Objective To explore the mechanism and active components of Vitex negundo leaves against influenza via network pharmacology and molecular docking.Methods The inhibitory effect of Vitex negundo leaf extract on Madin-Darby canine kidney cells infected with influenza virus was investigated via cell experiments before the active components and mechanism were identified by means of network pharma-cology and molecular docking.Results Both the aqueous and alcoholic extracts of Vitex negundo leaves could inhibit the replication of H1N1 in Madin-Darby canine kidney cells.Forty-four active components of Vitex negundo leaves were screened by network pharmacology,corresponding to 54 potential targets.The protein-protein interaction network showed that AKT serine/threonine kinase 1,signal transducer and acti-vator of transcription 3,epidermal growth factor receptor,estrogen receptor 1,prostaglandin-endoperoxide synthase 2 and matrix metalloproteinase-9 were the core targets.GO analysis showed that there were 15 pathways of molecular function,20 pathways of biological processes and 11 pathways of cellular compo-nents.KEGG enrichment analysis suggested apoptosis,NF-κB signaling pathway,platelet activation and other related antiviral pathways.Molecular docking indicated that artemetin,luteolin,Vitedoin B had the strongest binding with MMP9 while kaempferol and Negundin A had the strongest binding with PTGS2.Conclusion In vitro cell experiments suggest that H1N1 virus can be exceptionally suppressed by extracts of Vitex negundo leaves,including the ethanol extract and water extract,and that the ethanol extract has a better antiviral effect than the water extract.Vitex negundo leaves exert anti-influenza effect in a multi-component,multi-target and multi-pathway manner,which can provide data for in-depth studies on the anti-influenza mechanism of Vitex negundo leaves.
万方数据
维普
