基于UPLC-QTOF-MS的小叶买麻藤活性成分研究及其抗高尿酸血症"成分-靶点-通路"网络构建OA

Objective To analyze the chemical composition of Gnetum parvifolium against hyperuricemia and construct a"components-targets-pathways"network based on ultra-high performance liquid chromatography(UPLC)-Quadrupole Time-of-Flight Mass Spectrometry(QTOF-MS).Methods According to the mass spectrum information,the chemical components of Gnetum parvifolium were rapidly analyzed in UNIFI software;The active ingredients were screened from TCMSP、SEA and SwissTargetPrediction databases and their target prediction was conducted.Disease targets related hyperuricemia were screened by the GeneCards,OMIM,and TTD databases.Subsequently,the overlapping targets were used to construct a PPI network.Go and KEGG enrichment analyses were performed on these targets.Then,a"drug-target-disease"network was constructed and validated by molecular docking.Results According to the accurate relative molecular mass and the Multistage Mass Spectrometry Fragment Ions,combined with the UNIFI database and literature comparison,43 chemical components in the ethanol extract of Gnetum parvifolium were analyzed.23 component-disease common targets were obtained by TCMSP.The main active components of anti-hyperuricemia in Gnetum parvifolium were chrysoeriol,naringenin,daucosterol,and oroxylin A,and it was speculated that IL-6,TNF,CAT,PPARG and VEGFA were the key targets,involving pathways such as neurodegenerative diseases,atherosclerosis,and anti-folate.Conclusion Based on UPLC-QTOF-MS,network pharmacology,and molecular docking,the"component-target-pathway"network was constructed to elucidate the main active components and potential mechanism of Gnetum parvifolium against hyperuricemia.