IDEAS home Printed from https://ideas.repec.org/a/ags/asagre/349083.html
   My bibliography  Save this article

Therapeutic Effects and Potential Mechanisms of Glyasperin A against Myocardial Ischemia Based on Network Pharmacology and Molecular Docking

Author

Listed:
  • Na LI,
  • Shunhuan CHEN,
  • Xiang PU,
  • Yihui CHAI,
  • Yuqi YANG,
  • Lailai LI

Abstract

[Objectives] To explore the therapeutic effects and potential mechanisms of Glyasperin A (GAA) on myocardial ischemia (MI) based on network pharmacology and molecular docking. [Methods] The molecular structure of GAA was downloaded from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), and all targets of GAA were predicted by converting 3D model molecules into SMILES online tool and Swiss target prediction. Genecards database and DisGeNET database were used to find the targets related to MI, and then Venny2.1.0 was used to generate the corresponding Wayne diagram, and then Cytoscape 3.9.1 software was used to construct the protein-protein interaction (PPI) network. With the help of DAVID database and Microbiology, the selected core targets were enriched and analyzed by gene ontology (GO), biological process (BP), and Kyoto Encyclopedia of Genes and Genomes (KEGG), and then the molecular docking between GAA and core targets was verified by AutoDock and Pymol software. [Results] A total of 1883 MI targets were screened, and in the protein-protein interaction network, AKT1, PTGS2, PPARG, ESR1, GSK3B were the proteins with higher values. Gene ontology and KEEG enrichment analysis showed that the biological processes involved mainly included inflammatory response, negative regulation of gene expression, and response to exogenous stimuli. Signaling pathways mainly include IL-17 signaling pathway, HIF-1 signaling pathway, and so on. The results of molecular docking showed that the binding energy of GAA and core protein was less than -5 Kcal/mol in four groups. These indicated that GAA with good binding had a certain therapeutic effect on myocardial ischemia. [Conclusions] Based on the systematic network pharmacology method, this study predicts the basic pharmacological effects and potential mechanisms of GAA in the treatment of MI, and reveals that GAA may treat MI through multiple targets and signaling pathways. It is expected to provide a basis for further study of its pharmacological mechanisms.

Suggested Citation

  • Na LI, & Shunhuan CHEN, & Xiang PU, & Yihui CHAI, & Yuqi YANG, & Lailai LI, . "Therapeutic Effects and Potential Mechanisms of Glyasperin A against Myocardial Ischemia Based on Network Pharmacology and Molecular Docking," Asian Agricultural Research, USA-China Science and Culture Media Corporation, vol. 16(05).
    • Handle: RePEc:ags:asagre:349083
    DOI: 10.22004/ag.econ.349083
    as

    Download full text from publisher

    File URL: https://ageconsearch.umn.edu/record/349083/files/Therapeutic%20Effects%20and%20Potential%20Mechanisms%20of%20Glyasperin%20A%20against%20Myocardial%20Ischemia%20Based%20on%20Network%20Pharmacology%20and%20Molecular%20Docking.PDF
    Download Restriction: no
    File URL: https://libkey.io/10.22004/ag.econ.349083?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    More about this item

    Keywords

    Agribusiness;

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:ags:asagre:349083. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: AgEcon Search (email available below). General contact details of provider: .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.