Volume 39 Issue 7
Jul.  2023
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Article Navigation >  Journal of Nanjing University of traditional Chinese Medicine  > 2023  >  39(7): 645-656
ZU Yue, LIANG Yan, SUN Ruo-lan, ZHAO Fan, BIAN Yong, TANG De-cai, Yin Gang. Study on Effective Components and Mechanism of Astragalus-Zedoary against Ovarian Cancer Based on Network Pharmacology and Molecular Docking[J]. Journal of Nanjing University of traditional Chinese Medicine, 2023, 39(7): 645-656. doi: 10.14148/j.issn.1672-0482.2023.0645
Citation: ZU Yue, LIANG Yan, SUN Ruo-lan, ZHAO Fan, BIAN Yong, TANG De-cai, Yin Gang. Study on Effective Components and Mechanism of Astragalus-Zedoary against Ovarian Cancer Based on Network Pharmacology and Molecular Docking[J]. Journal of Nanjing University of traditional Chinese Medicine, 2023, 39(7): 645-656. doi: 10.14148/j.issn.1672-0482.2023.0645
shu

Study on Effective Components and Mechanism of Astragalus-Zedoary against Ovarian Cancer Based on Network Pharmacology and Molecular Docking

doi: 10.14148/j.issn.1672-0482.2023.0645

  • School of Traditional Chinese Medicine, School of Integrated Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing 210023, China

  • Received Date: 2023-03-03
    Available Online: 2023-07-15
    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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