New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus

Detalhes bibliográficos
Autor(a) principal: Castro, Alexandre A. de
Data de Publicação: 2022
Outros Autores: Assis, Letícia C., Cunha, Elaine F. F. da, Ramalho, Teodorico C., La Porta, Felipe A.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFLA
Texto Completo: http://repositorio.ufla.br/jspui/handle/1/50852
Resumo: In this in silico study, different pharmaceutical co-crystals based on (hydroxy)chloroquine with macrolide antibiotics (azithromycin, clarithromycin, or erythromycin A) were analyzed for the first time. These findings present a new molecular perspective and therefore suggest that the combination of (hydroxy)chloroquine/azithromycin, in the stoichiometric ratio of 1:1, as model co-crystal systems has less toxicity and is the most effective for inhibiting the new severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).
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spelling New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus(hydroxy)chloroquineMacrolide antibioticsCo-crystalsSARS-CoV-2Molecular modellingHidroxicloroquinaAntibióticos macrolídeosCocristaisModelagem molecularIn this in silico study, different pharmaceutical co-crystals based on (hydroxy)chloroquine with macrolide antibiotics (azithromycin, clarithromycin, or erythromycin A) were analyzed for the first time. These findings present a new molecular perspective and therefore suggest that the combination of (hydroxy)chloroquine/azithromycin, in the stoichiometric ratio of 1:1, as model co-crystal systems has less toxicity and is the most effective for inhibiting the new severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).MDPI2022-08-05T18:31:37Z2022-08-05T18:31:37Z2022info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfCASTRO, A. A. de et al. New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus. Covid, [S. l.], v. 2, n. 3, p. 230-243, 2022. DOI: 10.3390/covid2030018.http://repositorio.ufla.br/jspui/handle/1/50852Covidreponame:Repositório Institucional da UFLAinstname:Universidade Federal de Lavras (UFLA)instacron:UFLAAttribution 4.0 Internationalhttp://creativecommons.org/licenses/by/4.0/info:eu-repo/semantics/openAccessCastro, Alexandre A. deAssis, Letícia C.Cunha, Elaine F. F. daRamalho, Teodorico C.La Porta, Felipe A.eng2022-08-05T18:31:37Zoai:localhost:1/50852Repositório InstitucionalPUBhttp://repositorio.ufla.br/oai/requestnivaldo@ufla.br || repositorio.biblioteca@ufla.bropendoar:2022-08-05T18:31:37Repositório Institucional da UFLA - Universidade Federal de Lavras (UFLA)false
dc.title.none.fl_str_mv New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus
title New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus
spellingShingle New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus
Castro, Alexandre A. de
(hydroxy)chloroquine
Macrolide antibiotics
Co-crystals
SARS-CoV-2
Molecular modelling
Hidroxicloroquina
Antibióticos macrolídeos
Cocristais
Modelagem molecular
title_short New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus
title_full New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus
title_fullStr New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus
title_full_unstemmed New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus
title_sort New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus
author Castro, Alexandre A. de
author_facet Castro, Alexandre A. de
Assis, Letícia C.
Cunha, Elaine F. F. da
Ramalho, Teodorico C.
La Porta, Felipe A.
author_role author
author2 Assis, Letícia C.
Cunha, Elaine F. F. da
Ramalho, Teodorico C.
La Porta, Felipe A.
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Castro, Alexandre A. de
Assis, Letícia C.
Cunha, Elaine F. F. da
Ramalho, Teodorico C.
La Porta, Felipe A.
dc.subject.por.fl_str_mv (hydroxy)chloroquine
Macrolide antibiotics
Co-crystals
SARS-CoV-2
Molecular modelling
Hidroxicloroquina
Antibióticos macrolídeos
Cocristais
Modelagem molecular
topic (hydroxy)chloroquine
Macrolide antibiotics
Co-crystals
SARS-CoV-2
Molecular modelling
Hidroxicloroquina
Antibióticos macrolídeos
Cocristais
Modelagem molecular
description In this in silico study, different pharmaceutical co-crystals based on (hydroxy)chloroquine with macrolide antibiotics (azithromycin, clarithromycin, or erythromycin A) were analyzed for the first time. These findings present a new molecular perspective and therefore suggest that the combination of (hydroxy)chloroquine/azithromycin, in the stoichiometric ratio of 1:1, as model co-crystal systems has less toxicity and is the most effective for inhibiting the new severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).
publishDate 2022
dc.date.none.fl_str_mv 2022-08-05T18:31:37Z
2022-08-05T18:31:37Z
2022
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv CASTRO, A. A. de et al. New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus. Covid, [S. l.], v. 2, n. 3, p. 230-243, 2022. DOI: 10.3390/covid2030018.
http://repositorio.ufla.br/jspui/handle/1/50852
identifier_str_mv CASTRO, A. A. de et al. New In Silico insights into the application of (Hydroxy)Chloroquine with Macrolide Antibiotic Co-Crystals against the SARS-CoV-2 Virus. Covid, [S. l.], v. 2, n. 3, p. 230-243, 2022. DOI: 10.3390/covid2030018.
url http://repositorio.ufla.br/jspui/handle/1/50852
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv Attribution 4.0 International
http://creativecommons.org/licenses/by/4.0/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Attribution 4.0 International
http://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 MDPI
publisher.none.fl_str_mv MDPI
dc.source.none.fl_str_mv Covid
reponame:Repositório Institucional da UFLA
instname:Universidade Federal de Lavras (UFLA)
instacron:UFLA
instname_str Universidade Federal de Lavras (UFLA)
instacron_str UFLA
institution UFLA
reponame_str Repositório Institucional da UFLA
collection Repositório Institucional da UFLA
repository.name.fl_str_mv Repositório Institucional da UFLA - Universidade Federal de Lavras (UFLA)
repository.mail.fl_str_mv nivaldo@ufla.br || repositorio.biblioteca@ufla.br
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