Journal of Ginseng Research

The Korean Society of Ginseng (고려인삼학회)
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Integrative applications of network pharmacology and molecular docking: An herbal formula ameliorates H9c2 cells injury through pyroptosis

  • Zhongwen, Qi (Postdoctoral Research Station of China Academy of Chinese Medical Sciences, Institute of Gerontology, Xiyuan Hospital, China Academy of Chinese Medical Sciences) ;
  • Zhipeng, Yan (First Teaching Hospital of Tianjin University of Traditional Chinese Medicine) ;
  • Yueyao, Wang (First Teaching Hospital of Tianjin University of Traditional Chinese Medicine) ;
  • Nan, Ji (Tianjin University of Traditional Chinese Medicine) ;
  • Xiaoya, Yang (Tianjin University of Traditional Chinese Medicine) ;
  • Ao, Zhang (First Teaching Hospital of Tianjin University of Traditional Chinese Medicine) ;
  • Meng, Li (Institute of Hypertension, Jiangsu Province Hospital of Chinese Medicine, Affiliated Hospital of Nanjing University of Chinese Medicine) ;
  • Fengqin, Xu (Postdoctoral Research Station of China Academy of Chinese Medical Sciences, Institute of Gerontology, Xiyuan Hospital, China Academy of Chinese Medical Sciences) ;
  • Junping, Zhang (First Teaching Hospital of Tianjin University of Traditional Chinese Medicine)
  • Received : 2021.12.28
  • Accepted : 2023.03.17
  • Published : 2023.03.02
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Abstract

Background: QiShen YiQi pills (QSYQ) is a Traditional Chinese Medicine (TCM) formula, which has a significant effect on the treatment of patients with myocardial infarction (MI) in clinical practice. However, the molecular mechanism of QSYQ regulation pyroptosis after MI is still not fully known. Hence, this study was designed to reveal the mechanism of the active ingredient in QSYQ. Methods: Integrated approach of network pharmacology and molecular docking, were conducted to screen active components and corresponding common target genes of QSYQ in intervening pyroptosis after MI. Subsequently, STRING and Cytoscape were applied to construct a PPI network, and obtain candidate active compounds. Molecular docking was performed to verify the binding ability of candidate components to pyroptosis proteins and oxygen-glucose deprivation (OGD) induced cardiomyocytes injuries were applied to explore the protective effect and mechanism of the candidate drug. Results: Two drug-likeness compounds were preliminarily selected, and the binding capacity between Ginsenoside Rh2 (Rh2) and key target High Mobility Group Box 1 (HMGB1)was validated in the form of hydrogen bonding. 2 μM Rh2 prevented OGD-induced H9c2 death and reduced IL-18 and IL-1β levels, possibly by decreasing the activation of the NLRP3 inflammasome, inhibiting the expression of p12-caspase1, and attenuating the level of pyroptosis executive protein GSDMD-N. Conclusions: We propose that Rh2 of QSYQ can protect myocardial cells partially by ameliorating pyroptosis, which seems to have a new insight regarding the therapeutic potential for MI.

Keywords

Acknowledgement

This study was supported by the National Natural Science Foundation of China (Grant No. 81804046, 81,774,232).

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