Classical chromatography plus network pharmacology for exploring the quality markers and acting mechanism of reducing phleg of tangerine peel made from bile of Menghe Medical School
OBJECTIVE To explore the chemical constituents of tangerine peel made from bile of Menghe Medical School and examine its quality markers and acting mechanism in reducing phleg.METHODS Qualitative inorganic analysis and construc-tion of a compositional library of tangerine peel made from bile were performed by UPLC-Q-TOF-MS and HS-GC-MS tech-niques.Network pharmacology technology was utilized for screening quality markers and elucidating the potential mechanism.The results were validated by molecular docking technique.RESULTS A total of 106 chemical components were identified,including 67 chemical components by UPLC-Q-TOF-MS and 39 chemical components by HS-GC-MS.Five potential quality markers were obtained from the drug-component-target network:obacunone,isoflavone,Naringenin,(+/-)-Naringenin and orange flavonoids.Three core targets of NOS3,EGFR and PTGS2 were screened by molecular docking.Through GO enrich-ment analysis,BP 502,CC 85 and MF 146 were obtained with a total of 733 signaling pathways.And 162 signaling pathways were enriched by KEGG enrichment analysis.CONCLUSION This study has preliminarily established the chemical composition library of tangerine peel made from bile,clarified the cleavage pattern of potential quality markers and elucidated the acting mecha-nism of resolving phlegm and relieving cough.Laying the foundation for further studies of tangerine peel made from bile pharmaco-dynamic substances,this study provides scientific rationales for wider applications of characteristic decoction pieces.
UPLC-Q-TOF-MSHS-GC-MSnetwork pharmacologytangerine peel made from bilereducing phlegquality markeraction mechanism
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