Computational identification of Shenshao Ningxin Yin as an effective treatment for novel coronavirus infection (COVID-19) with myocarditis
Background: The newly identified betacoronavirus SARS-CoV-2 is the causative pathogen of the 2019 coronavirus disease (COVID-19), which has killed more than 4.5 million people. SARS-CoV-2 causes severe respiratory distress syndrome by targeting the lungs and also induces myocardial damage. Shenshao...
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AIMS Press
2022-04-01
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| Series: | Mathematical Biosciences and Engineering |
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| Online Access: | https://www.aimspress.com/article/doi/10.3934/mbe.2022270?viewType=HTML |
| _version_ | 1818273026502819840 |
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| author | Ze-Yu Zhang Zhu-Jun Mao Ye-ping Ruan Xin Zhang |
| author_facet | Ze-Yu Zhang Zhu-Jun Mao Ye-ping Ruan Xin Zhang |
| author_sort | Ze-Yu Zhang |
| collection | DOAJ |
| description | Background: The newly identified betacoronavirus SARS-CoV-2 is the causative pathogen of the 2019 coronavirus disease (COVID-19), which has killed more than 4.5 million people. SARS-CoV-2 causes severe respiratory distress syndrome by targeting the lungs and also induces myocardial damage. Shenshao Ningxin Yin (SNY) has been used for more than 700 years to treat influenza. Previous randomized controlled trials (RCTs) have demonstrated that SNY can improve the clinical symptoms of viral myocarditis, reverse arrhythmia, and reduce the level of myocardial damage markers. Methods: This work uses a rational computational strategy to identify existing drug molecules that target host pathways for the treatment of COVID-19 with myocarditis. Disease and drug targets were input into the STRING database to construct proteinɃprotein interaction networks. The Metascape database was used for GO and KEGG enrichment analysis. Results: SNY signaling modulated the pathways of coronavirus disease, including COVID-19, Ras signaling, viral myocarditis, and TNF signaling pathways. Tumor necrosis factor (TNF), cellular tumor antigen p53 (TP53), mitogen-activated protein kinase 1 (MAPK1), and the signal transducer and activator of transcription 3 (STAT3) were the pivotal targets of SNY. The components of SNY bound well with the pivotal targets, indicating there were potential biological activities. Conclusion: Our findings reveal the pharmacological role and molecular mechanism of SNY for the treatment of COVID-19 with myocarditis. We also, for the first time, demonstrate that SNY displays multi-component, multi-target, and multi-pathway characteristics with a complex mechanism of action. |
| first_indexed | 2024-12-12T21:51:25Z |
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| institution | Directory Open Access Journal |
| issn | 1551-0018 |
| language | English |
| last_indexed | 2024-12-12T21:51:25Z |
| publishDate | 2022-04-01 |
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| series | Mathematical Biosciences and Engineering |
| spelling | doaj.art-59c7eb9100ea46c2b8e2a49912a6eae32022-12-22T00:10:46ZengAIMS PressMathematical Biosciences and Engineering1551-00182022-04-011965772579210.3934/mbe.2022270Computational identification of Shenshao Ningxin Yin as an effective treatment for novel coronavirus infection (COVID-19) with myocarditisZe-Yu Zhang0Zhu-Jun Mao1Ye-ping Ruan2Xin Zhang31. School of Pharmaceutical Sciences, Zhejiang Chinese Medical University, Hangzhou 310053, China1. School of Pharmaceutical Sciences, Zhejiang Chinese Medical University, Hangzhou 310053, China 2. Chinese Medicine Plant Essential Oil Zhejiang Engineering Research Center, Zhejiang Chinese Medical University, Hangzhou 310053, China1. School of Pharmaceutical Sciences, Zhejiang Chinese Medical University, Hangzhou 310053, China 2. Chinese Medicine Plant Essential Oil Zhejiang Engineering Research Center, Zhejiang Chinese Medical University, Hangzhou 310053, China1. School of Pharmaceutical Sciences, Zhejiang Chinese Medical University, Hangzhou 310053, China 2. Chinese Medicine Plant Essential Oil Zhejiang Engineering Research Center, Zhejiang Chinese Medical University, Hangzhou 310053, ChinaBackground: The newly identified betacoronavirus SARS-CoV-2 is the causative pathogen of the 2019 coronavirus disease (COVID-19), which has killed more than 4.5 million people. SARS-CoV-2 causes severe respiratory distress syndrome by targeting the lungs and also induces myocardial damage. Shenshao Ningxin Yin (SNY) has been used for more than 700 years to treat influenza. Previous randomized controlled trials (RCTs) have demonstrated that SNY can improve the clinical symptoms of viral myocarditis, reverse arrhythmia, and reduce the level of myocardial damage markers. Methods: This work uses a rational computational strategy to identify existing drug molecules that target host pathways for the treatment of COVID-19 with myocarditis. Disease and drug targets were input into the STRING database to construct proteinɃprotein interaction networks. The Metascape database was used for GO and KEGG enrichment analysis. Results: SNY signaling modulated the pathways of coronavirus disease, including COVID-19, Ras signaling, viral myocarditis, and TNF signaling pathways. Tumor necrosis factor (TNF), cellular tumor antigen p53 (TP53), mitogen-activated protein kinase 1 (MAPK1), and the signal transducer and activator of transcription 3 (STAT3) were the pivotal targets of SNY. The components of SNY bound well with the pivotal targets, indicating there were potential biological activities. Conclusion: Our findings reveal the pharmacological role and molecular mechanism of SNY for the treatment of COVID-19 with myocarditis. We also, for the first time, demonstrate that SNY displays multi-component, multi-target, and multi-pathway characteristics with a complex mechanism of action.https://www.aimspress.com/article/doi/10.3934/mbe.2022270?viewType=HTMLshenshao ningxin yin (sny)novel coronavirus infection (covid-19)myocarditisnetwork pharmacologymolecular dockingsars-cov-2 |
| spellingShingle | Ze-Yu Zhang Zhu-Jun Mao Ye-ping Ruan Xin Zhang Computational identification of Shenshao Ningxin Yin as an effective treatment for novel coronavirus infection (COVID-19) with myocarditis Mathematical Biosciences and Engineering shenshao ningxin yin (sny) novel coronavirus infection (covid-19) myocarditis network pharmacology molecular docking sars-cov-2 |
| title | Computational identification of Shenshao Ningxin Yin as an effective treatment for novel coronavirus infection (COVID-19) with myocarditis |
| title_full | Computational identification of Shenshao Ningxin Yin as an effective treatment for novel coronavirus infection (COVID-19) with myocarditis |
| title_fullStr | Computational identification of Shenshao Ningxin Yin as an effective treatment for novel coronavirus infection (COVID-19) with myocarditis |
| title_full_unstemmed | Computational identification of Shenshao Ningxin Yin as an effective treatment for novel coronavirus infection (COVID-19) with myocarditis |
| title_short | Computational identification of Shenshao Ningxin Yin as an effective treatment for novel coronavirus infection (COVID-19) with myocarditis |
| title_sort | computational identification of shenshao ningxin yin as an effective treatment for novel coronavirus infection covid 19 with myocarditis |
| topic | shenshao ningxin yin (sny) novel coronavirus infection (covid-19) myocarditis network pharmacology molecular docking sars-cov-2 |
| url | https://www.aimspress.com/article/doi/10.3934/mbe.2022270?viewType=HTML |
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