Background:To explore the mechanism of action of Zhishi Daozhi decoction in treating diarrhea using network pharmacology and molecular docking.Methods:The pharmacological components and targets of Zhishi Daozhi decoct...Background:To explore the mechanism of action of Zhishi Daozhi decoction in treating diarrhea using network pharmacology and molecular docking.Methods:The pharmacological components and targets of Zhishi Daozhi decoction were searched by The TCMSP and Uniprot database and the disease genes of diarrhea were obtained from GeneCard and diagenetic databases.The network software venny 2.1.0 was used to screen the intersection targets of Zhishi Daozhi decoction in treating diarrhea.STRING database was used to construct protein interaction network,Metascape database analysis platform for gene ontology enrichment and Kyoto Gene and Genome Encyclopedia pathway enrichment analysis.Using Cytoscape 3.9.1 software to map the“Chinese herbal medicine-active ingredient-target”network and perform network topology to identify the core genes.Selecting core genes and critical components for molecular docking.Results:203 active ingredients and 259 target genes were obtained from Zhishi Daozhi decoction,206 genes were cross-linked with the disease gene control after de-duplication,1001 entries meeting the screening criteria were obtained after gene ontology enrichment analysis,and 169 entries were obtained after Kyoto Gene and Genome Encyclopedia enrichment analysis,in which the biological processes were mainly enriched in the cellular responses to lipids,hormones,radiation,growth factors,and cell fractionation.The Kyoto Gene and Genome Encyclopedia pathway enrichment analysis suggested that it mainly covers the cancer pathway,hepatitis B,cellular senescence,IL-17 signaling pathway,PI3K-Akt signaling pathway,etc.The molecular docking results showed that the vital active ingredients,such as lignocaine and quercetin,with better binding activity to the vital core targets,such as MMP3,AKT1,and CCL2.Conclusion:The active ingredients such as quercetin and luteolin in Zhishi Daozhi decoction may act through signaling pathways such as IL-17 signaling pathway,PI3K-Akt signaling pathway,TGF-βsignaling pathway,and other pathways,and act on the critical core targets such as MMP3,AKT1,HSP90AA1,FOS,CCL2,and TGFB1 to enhance intestinal barrier function,reduce the inflammatory response and regulate intestinal flora,thus achieving the purpose of treating diarrhea.展开更多
基金supported by the science and technology innovation particular topic of Maoming City(No.2021S0047)science and technology innovation particular topic of Maoming City(No.2022S0014).
文摘Background:To explore the mechanism of action of Zhishi Daozhi decoction in treating diarrhea using network pharmacology and molecular docking.Methods:The pharmacological components and targets of Zhishi Daozhi decoction were searched by The TCMSP and Uniprot database and the disease genes of diarrhea were obtained from GeneCard and diagenetic databases.The network software venny 2.1.0 was used to screen the intersection targets of Zhishi Daozhi decoction in treating diarrhea.STRING database was used to construct protein interaction network,Metascape database analysis platform for gene ontology enrichment and Kyoto Gene and Genome Encyclopedia pathway enrichment analysis.Using Cytoscape 3.9.1 software to map the“Chinese herbal medicine-active ingredient-target”network and perform network topology to identify the core genes.Selecting core genes and critical components for molecular docking.Results:203 active ingredients and 259 target genes were obtained from Zhishi Daozhi decoction,206 genes were cross-linked with the disease gene control after de-duplication,1001 entries meeting the screening criteria were obtained after gene ontology enrichment analysis,and 169 entries were obtained after Kyoto Gene and Genome Encyclopedia enrichment analysis,in which the biological processes were mainly enriched in the cellular responses to lipids,hormones,radiation,growth factors,and cell fractionation.The Kyoto Gene and Genome Encyclopedia pathway enrichment analysis suggested that it mainly covers the cancer pathway,hepatitis B,cellular senescence,IL-17 signaling pathway,PI3K-Akt signaling pathway,etc.The molecular docking results showed that the vital active ingredients,such as lignocaine and quercetin,with better binding activity to the vital core targets,such as MMP3,AKT1,and CCL2.Conclusion:The active ingredients such as quercetin and luteolin in Zhishi Daozhi decoction may act through signaling pathways such as IL-17 signaling pathway,PI3K-Akt signaling pathway,TGF-βsignaling pathway,and other pathways,and act on the critical core targets such as MMP3,AKT1,HSP90AA1,FOS,CCL2,and TGFB1 to enhance intestinal barrier function,reduce the inflammatory response and regulate intestinal flora,thus achieving the purpose of treating diarrhea.
