Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach
Autor(a) principal: | |
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Data de Publicação: | 2020 |
Outros Autores: | |
Tipo de documento: | preprint |
Idioma: | eng |
Título da fonte: | SciELO Preprints |
Texto Completo: | https://preprints.scielo.org/index.php/scielo/preprint/view/670 |
Resumo: | Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection depends on viral polyprotein processing, catalysed by the main proteinase (Mpro). The solution of the SARS-CoV-2 Mpro structure allowed the investigation of potential inhibitors. This work aims to provide first evidences of the applicability of commercially approved drugs to treat coronavirus disease-19 (COVID-19). We screened 4,334 compounds to found potential inhibitors of SARS-CoV-2 replication using an in silico approach. Our results evidenced the potential use of coagulation modifiers in COVID-19 treatment due to the structural similarity of SARS-CoV-2 Mpro and human coagulation factors thrombin and Factor Xa. Further in vitro and in vivo analysis are needed to corroborate these results. |
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Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approachstructureligand bindingin silico approachCOVID-19SARS-CoV-2 MproSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection depends on viral polyprotein processing, catalysed by the main proteinase (Mpro). The solution of the SARS-CoV-2 Mpro structure allowed the investigation of potential inhibitors. This work aims to provide first evidences of the applicability of commercially approved drugs to treat coronavirus disease-19 (COVID-19). We screened 4,334 compounds to found potential inhibitors of SARS-CoV-2 replication using an in silico approach. Our results evidenced the potential use of coagulation modifiers in COVID-19 treatment due to the structural similarity of SARS-CoV-2 Mpro and human coagulation factors thrombin and Factor Xa. Further in vitro and in vivo analysis are needed to corroborate these results.SciELO PreprintsSciELO PreprintsSciELO Preprints2020-05-29info:eu-repo/semantics/preprintinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://preprints.scielo.org/index.php/scielo/preprint/view/67010.1590/0074-02760200179enghttps://preprints.scielo.org/index.php/scielo/article/view/670/862Copyright (c) 2020 Ísis Venturi Biembengut, Tatiana de Arruda Campos Brasil de Souzahttps://creativecommons.org/licenses/by/4.0info:eu-repo/semantics/openAccessBiembengut, Ísis Venturi Souza, Tatiana de Arruda Campos Brasil de reponame:SciELO Preprintsinstname:SciELOinstacron:SCI2020-05-29T16:04:20Zoai:ops.preprints.scielo.org:preprint/670Servidor de preprintshttps://preprints.scielo.org/index.php/scieloONGhttps://preprints.scielo.org/index.php/scielo/oaiscielo.submission@scielo.orgopendoar:2020-05-29T16:04:20SciELO Preprints - SciELOfalse |
dc.title.none.fl_str_mv |
Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
title |
Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
spellingShingle |
Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach Biembengut, Ísis Venturi structure ligand binding in silico approach COVID-19 SARS-CoV-2 Mpro |
title_short |
Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
title_full |
Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
title_fullStr |
Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
title_full_unstemmed |
Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
title_sort |
Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach |
author |
Biembengut, Ísis Venturi |
author_facet |
Biembengut, Ísis Venturi Souza, Tatiana de Arruda Campos Brasil de |
author_role |
author |
author2 |
Souza, Tatiana de Arruda Campos Brasil de |
author2_role |
author |
dc.contributor.author.fl_str_mv |
Biembengut, Ísis Venturi Souza, Tatiana de Arruda Campos Brasil de |
dc.subject.por.fl_str_mv |
structure ligand binding in silico approach COVID-19 SARS-CoV-2 Mpro |
topic |
structure ligand binding in silico approach COVID-19 SARS-CoV-2 Mpro |
description |
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection depends on viral polyprotein processing, catalysed by the main proteinase (Mpro). The solution of the SARS-CoV-2 Mpro structure allowed the investigation of potential inhibitors. This work aims to provide first evidences of the applicability of commercially approved drugs to treat coronavirus disease-19 (COVID-19). We screened 4,334 compounds to found potential inhibitors of SARS-CoV-2 replication using an in silico approach. Our results evidenced the potential use of coagulation modifiers in COVID-19 treatment due to the structural similarity of SARS-CoV-2 Mpro and human coagulation factors thrombin and Factor Xa. Further in vitro and in vivo analysis are needed to corroborate these results. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-05-29 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/preprint info:eu-repo/semantics/publishedVersion |
format |
preprint |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
https://preprints.scielo.org/index.php/scielo/preprint/view/670 10.1590/0074-02760200179 |
url |
https://preprints.scielo.org/index.php/scielo/preprint/view/670 |
identifier_str_mv |
10.1590/0074-02760200179 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
https://preprints.scielo.org/index.php/scielo/article/view/670/862 |
dc.rights.driver.fl_str_mv |
Copyright (c) 2020 Ísis Venturi Biembengut, Tatiana de Arruda Campos Brasil de Souza https://creativecommons.org/licenses/by/4.0 info:eu-repo/semantics/openAccess |
rights_invalid_str_mv |
Copyright (c) 2020 Ísis Venturi Biembengut, Tatiana de Arruda Campos Brasil de Souza https://creativecommons.org/licenses/by/4.0 |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
SciELO Preprints SciELO Preprints SciELO Preprints |
publisher.none.fl_str_mv |
SciELO Preprints SciELO Preprints SciELO Preprints |
dc.source.none.fl_str_mv |
reponame:SciELO Preprints instname:SciELO instacron:SCI |
instname_str |
SciELO |
instacron_str |
SCI |
institution |
SCI |
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SciELO Preprints |
collection |
SciELO Preprints |
repository.name.fl_str_mv |
SciELO Preprints - SciELO |
repository.mail.fl_str_mv |
scielo.submission@scielo.org |
_version_ |
1797047818474487808 |