基于HPLC-Q-TOF MS/MS和网络药理学的参蓉蛹草片质量标志物研究OACSTPCD

Objective:To establish a detection method for the chemical components of Shenrong Yongcao Tablets by high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry(HPLC-Q-TOF-MS/MS),and analyze its anti-fatigue mechanism in combination with network pharmacology and molecular docking,to predicte the quality markers(Q-markers)of Shenrong Yongcao Tablets.Methods:The basic materials of Shenrong Yongcao Tablets were analyzed and identified by HPLC-Q-TOF-MS/MS.The structures of the selected compounds were obtained by Pubchem,and the targets of action were obtained using Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and SwissTargetPrediction.GeneCards,Therapeutic Target Database(TTD),and Online Mendelian Inheritance in Man(OMIM)were employed to screen fatigue-related disease targets,and the intersection targets of Shenrong Yongcao Tablets and diseases were obtained,which were calibrated through UniProt.STRING was used to construct the protein-protein interaction(PPI)network,and the topology of the PPI network was performed using Cytoscape 3.8.0.Finally,with the help of Metascape,Gene Ontology(GO)function enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis were carried out,and the results were visualized.Results:A total of 124 chemical components of Shenrong Yongcao Tablets were obtained by HPLC-Q-TOF MS/MS,and 23 chemical components screened by network pharmacology acted on 195 targets and intervened in 33 signaling pathways.Molecular docking showed that the active compounds entered the active cavity of the receptor target,forming reasonable docking conformation.Conclusion:Shenrong Yongcao Tablets can exert anti-fatigue effects through multi-component,multi-target and multi-pathway mechanism,and ginsenosides and phenylethanol glycosides are preliminarily predicted as Q-markers of Shenrong Yongcao Tablets by HPLC-Q-TOF MS/MS,network pharmacology and molecular docking.