Objective:To explore the molecular mechanism of Zixinyin oral liquid(ZOL)in the treatment of insomnia.Methods:The compounds and action targets of four herbal medicines in ZOL were collected via Traditional Chinese Med...Objective:To explore the molecular mechanism of Zixinyin oral liquid(ZOL)in the treatment of insomnia.Methods:The compounds and action targets of four herbal medicines in ZOL were collected via Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform.Genes corresponding to the targets were queried from the UniProt database.Genecards database was searched to screen the related targets of insomnia.A Gene Ontologyfunction enrichment analysis and a Kyoto Encyclopedia of Genes and Genomespathway enrichment analysis were performed by Database for Annotation,Visualization and Integrated Discovery.AutoDock software was used for molecular docking to verify the results of network analysis.Results:A total of 47 effective compounds and 187 potential targets of ZOL were screened out from the four drugs.A total of 2592 disease targets were screened out from the genecards database,and there were 1576 genes whose relevance score≥0.5.46 genes were obtained by taking the intersection of 187 potential targets of ZOL and 1,576 targets of insomnia.A total of 3,405 entries were obtained from Gene Ontologyfunctional enrichment(P<0.05).A total of 195 signaling pathways were obtained through a Kyoto Encyclopedia of Genes and Genomespathway analysis(P<0.05).Tumor necrosis factor,interleukin 17and hypoxia inducible factor-1signaling pathways were closely related to insomnia.The results of molecular docking show that all the core compounds of ZOL had a certain degree of affinity with gamma-aminobutyric acid receptor subunit alpha-1(GABRA1)and tumor necrosis factor-α(TNF-α).Paeoniflorgenone shows the highest affinity with GABRA1,and beta-sitosterol shows the highest affinity withTNF-α.ZOLmay have a therapeutic effect on insomnia through its action on targets such as GABRA1 and TNF-α,meanwhile regulating many signaling pathways.展开更多
基金This work was supported by the Hubei Science and Technology Program(No.2020CFB231)Youth Talent Project of Health Commission of Hubei Province(No.ZY2021Q026)Hubei University of Science and Technology Doctoral Startup Fund Project(No.BK202029).
文摘Objective:To explore the molecular mechanism of Zixinyin oral liquid(ZOL)in the treatment of insomnia.Methods:The compounds and action targets of four herbal medicines in ZOL were collected via Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform.Genes corresponding to the targets were queried from the UniProt database.Genecards database was searched to screen the related targets of insomnia.A Gene Ontologyfunction enrichment analysis and a Kyoto Encyclopedia of Genes and Genomespathway enrichment analysis were performed by Database for Annotation,Visualization and Integrated Discovery.AutoDock software was used for molecular docking to verify the results of network analysis.Results:A total of 47 effective compounds and 187 potential targets of ZOL were screened out from the four drugs.A total of 2592 disease targets were screened out from the genecards database,and there were 1576 genes whose relevance score≥0.5.46 genes were obtained by taking the intersection of 187 potential targets of ZOL and 1,576 targets of insomnia.A total of 3,405 entries were obtained from Gene Ontologyfunctional enrichment(P<0.05).A total of 195 signaling pathways were obtained through a Kyoto Encyclopedia of Genes and Genomespathway analysis(P<0.05).Tumor necrosis factor,interleukin 17and hypoxia inducible factor-1signaling pathways were closely related to insomnia.The results of molecular docking show that all the core compounds of ZOL had a certain degree of affinity with gamma-aminobutyric acid receptor subunit alpha-1(GABRA1)and tumor necrosis factor-α(TNF-α).Paeoniflorgenone shows the highest affinity with GABRA1,and beta-sitosterol shows the highest affinity withTNF-α.ZOLmay have a therapeutic effect on insomnia through its action on targets such as GABRA1 and TNF-α,meanwhile regulating many signaling pathways.
