Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors

Detalhes bibliográficos
Autor(a) principal: Gajo, Giovanna Cardoso
Data de Publicação: 2016
Outros Autores: Assis, Tamiris Maria de, Assis, Letícia Cristina, Ramalho, Teodorico Castro, Cunha, Elaine Fontes Ferreira da
Tipo de documento: Artigo
Idioma: por
Título da fonte: Repositório Institucional da UFLA
Texto Completo: http://repositorio.ufla.br/jspui/handle/1/30446
Resumo: A series of pyridylthiazole derivatives developed by Lawrence et al. as Rho-associated protein kinase inhibitors were subjected to four-dimensional quantitative structure-activity relationship (4D-QSAR) analysis. The models were generated applying genetic algorithm (GA) optimization combined with partial least squares (PLS) regression. The best model presented validation values of , , , , , , and . Furthermore, analyzing the descriptors it was possible to propose new compounds that predicted higher inhibitory concentration values than the most active compound of the series.
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spelling Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitorsA series of pyridylthiazole derivatives developed by Lawrence et al. as Rho-associated protein kinase inhibitors were subjected to four-dimensional quantitative structure-activity relationship (4D-QSAR) analysis. The models were generated applying genetic algorithm (GA) optimization combined with partial least squares (PLS) regression. The best model presented validation values of , , , , , , and . Furthermore, analyzing the descriptors it was possible to propose new compounds that predicted higher inhibitory concentration values than the most active compound of the series.Hindawi2018-09-15T12:37:11Z2018-09-15T12:37:11Z2016info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfGAJO, G. C. et al. Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors. Journal of Chemistry, [S.l.], [2016?].http://repositorio.ufla.br/jspui/handle/1/30446Journal of Chemistryreponame:Repositório Institucional da UFLAinstname:Universidade Federal de Lavras (UFLA)instacron:UFLAAttribution 4.0 Internationalhttp://creativecommons.org/licenses/by/4.0/info:eu-repo/semantics/openAccessGajo, Giovanna CardosoAssis, Tamiris Maria deAssis, Letícia CristinaRamalho, Teodorico CastroCunha, Elaine Fontes Ferreira dapor2018-09-15T12:37:12Zoai:localhost:1/30446Repositório InstitucionalPUBhttp://repositorio.ufla.br/oai/requestnivaldo@ufla.br || repositorio.biblioteca@ufla.bropendoar:2018-09-15T12:37:12Repositório Institucional da UFLA - Universidade Federal de Lavras (UFLA)false
dc.title.none.fl_str_mv Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors
title Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors
spellingShingle Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors
Gajo, Giovanna Cardoso
title_short Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors
title_full Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors
title_fullStr Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors
title_full_unstemmed Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors
title_sort Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors
author Gajo, Giovanna Cardoso
author_facet Gajo, Giovanna Cardoso
Assis, Tamiris Maria de
Assis, Letícia Cristina
Ramalho, Teodorico Castro
Cunha, Elaine Fontes Ferreira da
author_role author
author2 Assis, Tamiris Maria de
Assis, Letícia Cristina
Ramalho, Teodorico Castro
Cunha, Elaine Fontes Ferreira da
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Gajo, Giovanna Cardoso
Assis, Tamiris Maria de
Assis, Letícia Cristina
Ramalho, Teodorico Castro
Cunha, Elaine Fontes Ferreira da
description A series of pyridylthiazole derivatives developed by Lawrence et al. as Rho-associated protein kinase inhibitors were subjected to four-dimensional quantitative structure-activity relationship (4D-QSAR) analysis. The models were generated applying genetic algorithm (GA) optimization combined with partial least squares (PLS) regression. The best model presented validation values of , , , , , , and . Furthermore, analyzing the descriptors it was possible to propose new compounds that predicted higher inhibitory concentration values than the most active compound of the series.
publishDate 2016
dc.date.none.fl_str_mv 2016
2018-09-15T12:37:11Z
2018-09-15T12:37:11Z
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 GAJO, G. C. et al. Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors. Journal of Chemistry, [S.l.], [2016?].
http://repositorio.ufla.br/jspui/handle/1/30446
identifier_str_mv GAJO, G. C. et al. Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors. Journal of Chemistry, [S.l.], [2016?].
url http://repositorio.ufla.br/jspui/handle/1/30446
dc.language.iso.fl_str_mv por
language por
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 Hindawi
publisher.none.fl_str_mv Hindawi
dc.source.none.fl_str_mv Journal of Chemistry
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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