The Material Basis and Mechanism of Qingre Ggranules(清热颗粒)in the Treatment of Upper Respiratory Tract Infection Based on HPLC Fingerprint and Molecular Docking Technology
Objective:To analyze the material basis and mechanism of action of Qingre granules for treating upper respiratory tract infection based on HPLC fingerprint and network pharmacology.Methods:The fingerprint of Qingre granules was established to evaluate the similarity.CA,PCA,OPLS-DA and other chemical identification modes were used to screen out the common peaks that have a large impact on the differentiation of the fingerprint.The chemical components identified in these common peaks were applied to carry out network pharmacology analysis.Cytoscape software was used to screen out the core targets of Qingre granules for treating upper respiratory tract infection.GO and KEGG enrichment results were combined to construct a"component-target-pathway"network diagram,and predict the effective components of Qingre granules and analyze their mechanism of action.Finally,AutoDock Tools software and CMD command program were used to perform molecular docking verification of key targets and components.Results:The HPLC fingerprints of 10 batches of Qingre Granules were established,and their similarity was greater than 0.9.The CA and OPLS-DA chemical identification modes divided the 10 batches of samples into 3 categories,while PCA obtained 4 principal components.A total of 10 common peaks were identified by reference substances,and network pharmacology analysis was carried out with 7 key compounds among them.The 7 key compounds could exert their effects through multiple targets and pathways,and the binding energy of the core targets and related compounds was less than-5 kcal/mol.Conclusion:Qingre granules could regulate ACTB,MMP9,HSP90AA1,CASP3,AKT1,ESR1 and other core targets,and participate in IL-17,TNF and other signaling pathways to exert therapeutic effects on upper respiratory tract infection.Aesculetin,chlorogenic acid and neochlorogenic acid were the core effective components of Qingre granules.
万方数据
维普
