Identification of chemical compounds of Shi-Jue-Ming-San based on ultra-high performance liquid chromatography-quadrupole Orbitrap mass spectrometry and its network pharmacology in treatment of hypertension
[Objective]Based on the analysis of absorbed components in blood and network pharmacology,the potential mechanism of Shi-Jue-Ming-San(SJMS)in treating hypertension(HT)was explored.[Methods]Qualitative analysis was conducted on the main chemical compounds in vivo and in vitro of SJMS using the ultra-high performance liquid chromatography-quadrupole Orbitrap mass spectrometry(UHPLC/Q-Orbitrap-MS),and the targeted protein of active compounds were predicted using SEA and SwissTargetPrediction databases;Using GeneCards and DrugBank databases to obtain relevant targets for hypertension;Construct a PPI network for potential targets of SJMS on HT using the String platform and Cytoscape software;Perform GO functional enrichment analysis and KEGG metabolic pathway enrichment analysis on intersection targets using the DAVID database;Finally,a"component-disease-pathway-target"network diagram was constructed using Cytoscape software for analysis.[Results]129 main chemical compounds and 23 prototype components in blood were identified in SJMS;A total of 296 intersection targets were obtained,among which SRC,TP53,STAT3,EGFR,AKT1,ESR1 are key targets for SJMS anti-HT.The main active ingredients of SJMS for anti-HT include aurantio-obtusin,rubrofusarin-6-O-β-gentiobioside,torachrysone,glycyrrhetinic acid,neochlorogenic acid,glycyrrhizictinic acid,apigenin;GO enriched 30 gene function entries(P<0.01),and the activity of SJMS was negatively related to protein phosphorylation,and apoptosis process,while positively related to cell proliferation.There were 20 of KEGG pathways(P<0.01).The results showed that SJMS played a role in treating HT mainly through HIF-1 signaling pathway and AGE-RAGE signaling pathway in diabetes complications.[Conclusion]This study preliminarily elucidates the potential pharmacological substance basis of SJMS and explores its potential mechanism of action against HT,providing a certain theoretical reference for its clinical application.
Shi-Jue-Ming-Sanchemical compositionhypertensionnetwork pharmacologymechanism of action
国家科技期刊平台
NSTL
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