Abstract:
OBJECTIVE To analyze the active components, key targets and mechanisms of astragalus-zedoary in the treatment of ovarian cancer (OC) by network pharmacology, liquid chromatography-mass spectrometry (LC-MS) and molecular docking.
METHODS Through TCMSP, SWISS, Drugbank, DisGeNET and GeneCards database and literature research, combined with the representative component information of astragalus-zedoary decoction quantitatively analyzed by LC-MS, the active components of astragalus-zedoary were obtained and the main anti-OC targets were screened.With the Metascape database, the GO function enrichment and KEGG pathway analyses of the targets were carried out.AutoDock Vina was used for molecular docking on the core components and key targets of astragalus-zedoary and its binding activity.
RESULTS By integrating network pharmacology and LC-MS technology, the core active component of astragalus-zedoary for OC treatment were mainly flavonoid in astragalus and curcumin in zedoary.PPI analysis found that its potential key targets are TP53, AKT1, VEGFA, MYC, EGFR, etc.The GO and KEGG enrichment analyses suggested the involvement of protein kinases that regulate signaling pathways, and signaling pathways such as MAPK and HIF-1.Molecular docking results showed that astragalus-zedoary had strong binding activity to the core components and key targets of OC.
CONCLUSION The network pharmacology combined with LC-MS and molecular docking technology can rapidly analyze the potential active components of astragalus-zedoary, and preliminarily reveal the relationship between components, targets and pathways.
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