Exploration of the Mechanism of Qingfei Jiedu Decoction in the Treatment of Pulmonary Fibrosis Based on Network Pharmacology and Molecular Docking Technology
Objective:To explore the mechanism of Qingfei Jiedu Tang(QFJDT)in treating pulmonary fibrosis(PF)by using network pharmacology and molecular docking technology.Methods:The TCMSP database was used to obtain the active ingredients of the QFJDT formulation and the targets were predicted using the Swiss Target Prediction data platform.GeneCards database was used to collect targets related to pulmonary fibrosis and compare them with the drug action targets to screen out common parts as predicted targets for drug ingredient action.Then,Cytoscape 3.6.1 was used to draw the"drug-component-genes-disease"network diagram,construct the protein-protein interaction(PPI)network,and screen out the core targets.Finally,GO functional enrichment and KEGG pathway enrichment analyses were carried out for the potential targets,and the component-target-pathway network was established,and molecular docking of core compounds was carried out for the key targets.Results:A total of 280 active ingredients and 4571 targets of QFJDT were obtained from TCMSP;and 5149 PF-related genes were obtained from GeneCards database;A total of 224 key targets of QFJDT for PF were obtained by constructing a"drug-ingredient-genes-disease"network.The GO enrichment analysis revealed that the treatment of pulmonary fibrosis by QFJDT was related to 3340 biological processes,including antioxidant response and response to reactive oxygen species.KEGG enrichment involved 164 signaling pathways,indicating that QFJDT played a role in the treatment of PF mainly through the AGEs-RAGE signaling pathway in diabetic complications,etc.Finally,molecular docking of arachidonic acid 5-lipoxygenase target proteins with the 15 major active ingredients in QFJDT revealed that several components,such as cellulose,coumarin C,and kaempferol,showed good affinity,suggesting that they had a direct action relationship with the known targets of PF.Conclusion:QFJDT contains a number of pharmacodynamic components with inhibitory effects on PF,which can exert pharmacodynamic effects through the synergistic mechanism of multi-component and multi-target action.This paper can further provide a reference for the study of the pharmacodynamic material basis and target of action of QFJDT for the treatment of PF.
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