2D QSAR studies on a series of bifonazole derivatives with antifungal activity

Detalhes bibliográficos
Autor(a) principal: Mota, Sabrina G. R.
Data de Publicação: 2009
Outros Autores: Barros, Tânia Fraga, Castilho, Marcelo Santos
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/4961
Resumo: p. 451-459
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spelling Mota, Sabrina G. R.Barros, Tânia FragaCastilho, Marcelo SantosMota, Sabrina G. R.Barros, Tânia FragaCastilho, Marcelo Santos2011-12-21T15:38:21Z2011-12-21T15:38:21Z20090103-5053http://www.repositorio.ufba.br/ri/handle/ri/4961v. 20, n. 3.p. 451-459Candida albicans (CA) é considerado como o principal patógeno oportunista em pacientes imunossuprimidos. A maior parte dos fármacos disponíveis para o tratamento de cepas resistentes são altamente tóxicos ou ineficazes. Uma forma de amenizar esse cenário seria através de modificações na estrutura de derivados de azóis que resultassem no aumento da potência e seletividade. Visando esclarecer quais propriedades químicas e estruturais são importantes para atividade antifúngica de derivados de azol, estudos de QSAR 2D clássico e holograma QSAR (HQSAR) foram realizados para um conjunto diverso de 52 derivados de bifonazol com atividade antifúngica. Os descritores topológicos utilizados nos estudos de QSAR 2D clássico originaram modelos com baixa consistência interna (r2 = 0,38, q2 = 0,27) e poder preditivo nulo (r2pred = -0,6). Por outro lado, a utilização de hologramas moleculares possibilitou a criação de modelos de HQSAR robustos (r2 = 0,92, q2 = 0,65) e com bom poder preditivo (r2pred = 0,79).Submitted by JURANDI DE SOUZA SILVA (jssufba@hotmail.com) on 2011-12-21T15:38:21Z No. of bitstreams: 1 v20n3a07.pdf: 707065 bytes, checksum: 43696d53e3df20d8e23e459e5e344806 (MD5)Made available in DSpace on 2011-12-21T15:38:21Z (GMT). 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dc.title.pt_BR.fl_str_mv 2D QSAR studies on a series of bifonazole derivatives with antifungal activity
dc.title.alternative.pt_BR.fl_str_mv Journal of the Brazilian Chemical Society
title 2D QSAR studies on a series of bifonazole derivatives with antifungal activity
spellingShingle 2D QSAR studies on a series of bifonazole derivatives with antifungal activity
Mota, Sabrina G. R.
2D QSAR
Candida albicans
Azole
Ergosterol
title_short 2D QSAR studies on a series of bifonazole derivatives with antifungal activity
title_full 2D QSAR studies on a series of bifonazole derivatives with antifungal activity
title_fullStr 2D QSAR studies on a series of bifonazole derivatives with antifungal activity
title_full_unstemmed 2D QSAR studies on a series of bifonazole derivatives with antifungal activity
title_sort 2D QSAR studies on a series of bifonazole derivatives with antifungal activity
author Mota, Sabrina G. R.
author_facet Mota, Sabrina G. R.
Barros, Tânia Fraga
Castilho, Marcelo Santos
author_role author
author2 Barros, Tânia Fraga
Castilho, Marcelo Santos
author2_role author
author
dc.contributor.author.fl_str_mv Mota, Sabrina G. R.
Barros, Tânia Fraga
Castilho, Marcelo Santos
Mota, Sabrina G. R.
Barros, Tânia Fraga
Castilho, Marcelo Santos
dc.subject.por.fl_str_mv 2D QSAR
Candida albicans
Azole
Ergosterol
topic 2D QSAR
Candida albicans
Azole
Ergosterol
description p. 451-459
publishDate 2009
dc.date.issued.fl_str_mv 2009
dc.date.accessioned.fl_str_mv 2011-12-21T15:38:21Z
dc.date.available.fl_str_mv 2011-12-21T15:38:21Z
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 http://www.repositorio.ufba.br/ri/handle/ri/4961
dc.identifier.issn.none.fl_str_mv 0103-5053
dc.identifier.number.pt_BR.fl_str_mv v. 20, n. 3.
identifier_str_mv 0103-5053
v. 20, n. 3.
url http://www.repositorio.ufba.br/ri/handle/ri/4961
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
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instname:Universidade Federal da Bahia (UFBA)
instacron:UFBA
instname_str Universidade Federal da Bahia (UFBA)
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reponame_str Repositório Institucional da UFBA
collection Repositório Institucional da UFBA
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