Mechanism of Chaige Qinlian decoction in treating mycoplasma pneumoniae pneumonia in children based on network pharmacology and molecular docking
Objective:To analyze the mechanism of action of Chaige Qinlian decoction(柴葛芩连汤)in the treatment of mycoplasma pneumoniae pneumonia(MPP)in children by using network pharmacology and molecular docking technique.Methods:The active ingredients and targets of Chaige Qinlian decoction were screened by retrieving TCMSP database.Perl language command was used to batch search the upstream gene names of predicted targets in UniProt database.Disease targets related to mycoplasma pneumoniae in children were obtained by GeneCards and OMIM disease databases.The intersection targets of the two were obtained by using R software,and Wayne diagram was drawn.Cytoscape3.8.0 software was used to visualize the network of"Traditional Chinese Medicine-active ingredient-potential target"of Chaige Qinlian decoction in the treatment of mycoplasma pneumoniae pneumonia in children,and screen out the core nodes.The protein interaction network among intersection targets was constructed by STRING11.5 database combined with Cytoscape3.8.0 software,and the core targets in the interaction network were mined by CytoHubba,a plug-in of Cytoscape3.8.0 software.GO analysis and enrichment analysis of KEGG related pathways were performed for intersection targets using R language.Finally,AutoDock Vina was used to verify the molecular docking between the key active ingredients and the core target.Results:153 active ingredients and 47 drug-disease common targets of Chaige Qinlian decoction in the treatment of MPP were screened,and its mechanism of action was concluded to be related to 106 signaling pathways mediated by IL-17,NF-κB,TNF,etc.The effective ingredients such as quercetin,kaferol,baicalin,baicalin,papillaleucin A and other targets such as IL6,CXCL8 and TNF had good docking results.Conclusion:The active ingredients of Chaige Qinlian decoction may treat MPP through inhibiting inflammatory response,regulating immune disorder,improving intestinal flora disorder.
Chaige Qinlian decoctionMycoplasma pneumoniae pneumoniaMechanism of actionNetwork pharmacologyMolecular dockingChildren
万方数据
维普
