Analysis of the antitussive mechanism of blood compounds of Qingfei Decoction based on the technology of HPLC-Q/TOF MS and network pharmacology with molecular docking
Objective To establish a method based on HPLC-Q/TOF MS to identify the active ingredients of Qingfei Decoction,and to find the potential active mechanism of Qingfei Decoction for antitussive based on the method of network pharmacology.Methods 10 Wistar rats were intragastrically administered with Qingfei Decoction for 7 days,and the plasma was collected for 2 hours.The sample was separated on an ACQUITY HPLC HPLC HSS column(100 mm×3.0 mm,1.8 μm)with a gradient elution consisted of 0.2%formic acid water(A)-acetonitrile(B)as mobile phase.The plasma components were analyzed in positive and negative ion mode by Electrospray ion source(ESI source).The potential targets of blood components were screened through the SwissTargetPrediction database,and the targets of cough were screened in the GeneCards database,CTD database and Open Targets Platform database.The intersection targets of both were regarded as targets which played a role of cough relieving in Qingfei Decoction.GO biological analysis and KEGG pathways analysis were conducted through Metascape database.The PPI network was drawn through STRING database and Cytoscape software.The key targets were selected by node and edge clustering algorithm,and molecular docking was used for verification.Results Through the qualitative analysis of blood components,59 active ingredients and 99 potential targets of Qingfei Decoction for antitussive were detected.GO analysis showed that the antitussive effect of Qingfei Decoction was mainly concentrated in biological processes such as stimulation response and metabolic regulation,cell components such as cell membrane and nerve synapse,molecular functions such as binding function and kinase activity.The pathways were mostly related to immune regulation,inflammatory response,airway response and airway remodeling.Key targets such as BCL2L1,JUN,STAT3,MMP9,and HIF1A were screened out.Conclusion Qingfei Decoction exerts antitussive effects through multiple components,multiple targets,and multiple pathways.
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