Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents

Detalhes bibliográficos
Autor(a) principal: Andrade, Carolina H.
Data de Publicação: 2008
Outros Autores: Salum, Livia de B., Castilho, Marcelo Santos, Pasqualoto, Kerly F. M., Ferreira, Elizabeth I., Andricopulo, Adriano D.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/6422
Resumo: Acesso restrito: Texto completo. p. 47-59
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spelling Andrade, Carolina H.Salum, Livia de B.Castilho, Marcelo SantosPasqualoto, Kerly F. M.Ferreira, Elizabeth I.Andricopulo, Adriano D.Andrade, Carolina H.Salum, Livia de B.Castilho, Marcelo SantosPasqualoto, Kerly F. M.Ferreira, Elizabeth I.Andricopulo, Adriano D.2012-07-13T13:40:19Z20081381-1991http://www.repositorio.ufba.br/ri/handle/ri/6422v. 12, n. 1Acesso restrito: Texto completo. p. 47-59Worldwide, tuberculosis (TB) is the leading cause of death among curable infectious diseases. Multidrug-resistant Mycobacterium tuberculosis is an emerging problem of great importance to public health, and there is an urgent need for new anti-TB drugs. In the present work, classical 2D quantitative structure–activity relationships (QSAR) and hologram QSAR (HQSAR) studies were performed on a training set of 91 isoniazid derivatives. Significant statistical models (classicalQSAR,q2 = 0.68 and r 2 = 0.72;HQSAR, q2 = 0.63 and r 2 = 0.86) were obtained, indicating their consistency for untested compounds. The models were then used to evaluate an external test set containing 24 compounds which were not included in the training set, and the predicted values were in good agreement with the experimental results (HQSAR, r 2 pred = 0.87; classical QSAR, r 2 pred = 0.75).Submitted by JURANDI DE SOUZA SILVA (jssufba@hotmail.com) on 2012-07-13T13:40:19Z No. of bitstreams: 1 fulltext.pdf: 970606 bytes, checksum: b5f51158690cbfc4320384d99796df94 (MD5)Made available in DSpace on 2012-07-13T13:40:19Z (GMT). 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dc.title.pt_BR.fl_str_mv Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents
dc.title.alternative.pt_BR.fl_str_mv Molecular Diversity
title Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents
spellingShingle Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents
Andrade, Carolina H.
Tuberculosis
Infectious diseases
Hydrazides
Drug design
QSAR
title_short Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents
title_full Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents
title_fullStr Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents
title_full_unstemmed Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents
title_sort Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents
author Andrade, Carolina H.
author_facet Andrade, Carolina H.
Salum, Livia de B.
Castilho, Marcelo Santos
Pasqualoto, Kerly F. M.
Ferreira, Elizabeth I.
Andricopulo, Adriano D.
author_role author
author2 Salum, Livia de B.
Castilho, Marcelo Santos
Pasqualoto, Kerly F. M.
Ferreira, Elizabeth I.
Andricopulo, Adriano D.
author2_role author
author
author
author
author
dc.contributor.author.fl_str_mv Andrade, Carolina H.
Salum, Livia de B.
Castilho, Marcelo Santos
Pasqualoto, Kerly F. M.
Ferreira, Elizabeth I.
Andricopulo, Adriano D.
Andrade, Carolina H.
Salum, Livia de B.
Castilho, Marcelo Santos
Pasqualoto, Kerly F. M.
Ferreira, Elizabeth I.
Andricopulo, Adriano D.
dc.subject.por.fl_str_mv Tuberculosis
Infectious diseases
Hydrazides
Drug design
QSAR
topic Tuberculosis
Infectious diseases
Hydrazides
Drug design
QSAR
description Acesso restrito: Texto completo. p. 47-59
publishDate 2008
dc.date.issued.fl_str_mv 2008
dc.date.accessioned.fl_str_mv 2012-07-13T13:40:19Z
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/6422
dc.identifier.issn.none.fl_str_mv 1381-1991
dc.identifier.number.pt_BR.fl_str_mv v. 12, n. 1
identifier_str_mv 1381-1991
v. 12, n. 1
url http://www.repositorio.ufba.br/ri/handle/ri/6422
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
dc.source.pt_BR.fl_str_mv http://www.springerlink.com/content/pt8631411pl2577x/fulltext.pdf
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collection Repositório Institucional da UFBA
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