Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach

Detalhes bibliográficos
Autor(a) principal: Biembengut, Ísis Venturi
Data de Publicação: 2020
Outros Autores: Souza, Tatiana de Arruda Campos Brasil de
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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spelling 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
reponame_str SciELO Preprints
collection SciELO Preprints
repository.name.fl_str_mv SciELO Preprints - SciELO
repository.mail.fl_str_mv scielo.submission@scielo.org
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