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Potential antiviral properties of antiplatelet agents against SARS-CoV-2 infection: an in silico perspective
SARS-CoV-2 represents the causative agent of the current pandemic (COVID-19). The drug repurposing technique is used to search for possible drugs that can bind to SARS-CoV-2 proteins and inhibit viral replication. In this study, the FDA-approved antiplatelets are tested against the main protease and...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer US
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8435103/ https://www.ncbi.nlm.nih.gov/pubmed/34510337 http://dx.doi.org/10.1007/s11239-021-02558-5 |
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author | Abosheasha, Mohammed A. El-Gowily, Afnan H. Elfiky, Abdo A. |
author_facet | Abosheasha, Mohammed A. El-Gowily, Afnan H. Elfiky, Abdo A. |
author_sort | Abosheasha, Mohammed A. |
collection | PubMed |
description | SARS-CoV-2 represents the causative agent of the current pandemic (COVID-19). The drug repurposing technique is used to search for possible drugs that can bind to SARS-CoV-2 proteins and inhibit viral replication. In this study, the FDA-approved antiplatelets are tested against the main protease and spike proteins of SARS-CoV-2 using in silico methods. Molecular docking and molecular dynamics simulation are used in the current study. The results suggest the effectiveness of vorapaxar, ticagrelor, cilostazol, cangrelor, and prasugrel in binding the main protease (M(pro)) of SARS-CoV-2. At the same time, vorapaxar, ticagrelor, and cilostazol are the best binders of the spike protein. Therefore, these compounds could be successful candidates against COVID-19 that need to be tested experimentally. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s11239-021-02558-5. |
format | Online Article Text |
id | pubmed-8435103 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Springer US |
record_format | MEDLINE/PubMed |
spelling | pubmed-84351032021-09-13 Potential antiviral properties of antiplatelet agents against SARS-CoV-2 infection: an in silico perspective Abosheasha, Mohammed A. El-Gowily, Afnan H. Elfiky, Abdo A. J Thromb Thrombolysis Article SARS-CoV-2 represents the causative agent of the current pandemic (COVID-19). The drug repurposing technique is used to search for possible drugs that can bind to SARS-CoV-2 proteins and inhibit viral replication. In this study, the FDA-approved antiplatelets are tested against the main protease and spike proteins of SARS-CoV-2 using in silico methods. Molecular docking and molecular dynamics simulation are used in the current study. The results suggest the effectiveness of vorapaxar, ticagrelor, cilostazol, cangrelor, and prasugrel in binding the main protease (M(pro)) of SARS-CoV-2. At the same time, vorapaxar, ticagrelor, and cilostazol are the best binders of the spike protein. Therefore, these compounds could be successful candidates against COVID-19 that need to be tested experimentally. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s11239-021-02558-5. Springer US 2021-09-12 2022 /pmc/articles/PMC8435103/ /pubmed/34510337 http://dx.doi.org/10.1007/s11239-021-02558-5 Text en © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 This article is made available via the PMC Open Access Subset for unrestricted research re-use and secondary analysis in any form or by any means with acknowledgement of the original source. These permissions are granted for the duration of the World Health Organization (WHO) declaration of COVID-19 as a global pandemic. |
spellingShingle | Article Abosheasha, Mohammed A. El-Gowily, Afnan H. Elfiky, Abdo A. Potential antiviral properties of antiplatelet agents against SARS-CoV-2 infection: an in silico perspective |
title | Potential antiviral properties of antiplatelet agents against SARS-CoV-2 infection: an in silico perspective |
title_full | Potential antiviral properties of antiplatelet agents against SARS-CoV-2 infection: an in silico perspective |
title_fullStr | Potential antiviral properties of antiplatelet agents against SARS-CoV-2 infection: an in silico perspective |
title_full_unstemmed | Potential antiviral properties of antiplatelet agents against SARS-CoV-2 infection: an in silico perspective |
title_short | Potential antiviral properties of antiplatelet agents against SARS-CoV-2 infection: an in silico perspective |
title_sort | potential antiviral properties of antiplatelet agents against sars-cov-2 infection: an in silico perspective |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8435103/ https://www.ncbi.nlm.nih.gov/pubmed/34510337 http://dx.doi.org/10.1007/s11239-021-02558-5 |
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