2D Quantitative structure–activity relationship studies on a series of cholesteryl ester transfer protein inhibitors

Detalhes bibliográficos
Autor(a) principal: Castilho, Marcelo Santos
Data de Publicação: 2007
Outros Autores: Guido, Rafael V. C., Andricopulo, Adriano D.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://repositorio.ufba.br/ri/handle/ri/14412
Resumo: Texto completo: acesso restrito. p. 6242-6252
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spelling Castilho, Marcelo SantosGuido, Rafael V. C.Andricopulo, Adriano D.Castilho, Marcelo SantosGuido, Rafael V. C.Andricopulo, Adriano D.2014-01-21T20:58:37Z20070968-0896http://repositorio.ufba.br/ri/handle/ri/14412v. 15, n. 18Texto completo: acesso restrito. p. 6242-6252Coronary heart disease (CHD) is one of the major causes of human death. The most successful therapeutic approach available is based on the reduction of low density-lipoprotein cholesterol (LDL-C). However, it is believed that the next paradigm in CHD treatment will rely on increased HDL-C levels. One of the most promising strategies for this goal is the inhibition of cholesteryl ester transfer protein (CETP). In the present work, robust classical 2D QSAR (r2 = 0.76, q2 = 0.72) and hologram QSAR (r2 = 0.88, q2 = 0.70) models were developed for a series of 85 CETP inhibitors (N-N-disubstituted trifluoro-3-amino-2-propanol derivatives). These models are complementary in nature and highlight important structural features for the design of novel CETP inhibitors with improved potency.Submitted by Suelen Reis (suziy.ellen@gmail.com) on 2014-01-14T17:06:46Z No. of bitstreams: 1 1-s2.0-S0968089607005445-main.pdf: 463973 bytes, checksum: a753790176d7a99f075fe5669cc452c4 (MD5)Approved for entry into archive by Alda Lima da Silva (sivalda@ufba.br) on 2014-01-21T20:58:37Z (GMT) No. of bitstreams: 1 1-s2.0-S0968089607005445-main.pdf: 463973 bytes, checksum: a753790176d7a99f075fe5669cc452c4 (MD5)Made available in DSpace on 2014-01-21T20:58:37Z (GMT). No. of bitstreams: 1 1-s2.0-S0968089607005445-main.pdf: 463973 bytes, checksum: a753790176d7a99f075fe5669cc452c4 (MD5) Previous issue date: 2007http://dx.doi.org/10.1016/j.bmc.2007.06.021reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAQSARCoronary heart diseaseTrifluoro-3-amino-2-propanol derivativesCETPInhibitorsCoronariopatias2D Quantitative structure–activity relationship studies on a series of cholesteryl ester transfer protein inhibitorsBioorganic and Medicinal Chemistryinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article10000-01-01info:eu-repo/semantics/openAccessengORIGINAL1-s2.0-S0968089607005445-main.pdf1-s2.0-S0968089607005445-main.pdfapplication/pdf463973https://repositorio.ufba.br/bitstream/ri/14412/1/1-s2.0-S0968089607005445-main.pdfa753790176d7a99f075fe5669cc452c4MD51LICENSElicense.txtlicense.txttext/plain1345https://repositorio.ufba.br/bitstream/ri/14412/2/license.txtff6eaa8b858ea317fded99f125f5fcd0MD52TEXT1-s2.0-S0968089607005445-main.pdf.txt1-s2.0-S0968089607005445-main.pdf.txtExtracted texttext/plain32284https://repositorio.ufba.br/bitstream/ri/14412/3/1-s2.0-S0968089607005445-main.pdf.txte1c00ab12958112bd578c1e08536d776MD53ri/144122022-08-08 13:17:43.737oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-08-08T16:17:43Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv 2D Quantitative structure–activity relationship studies on a series of cholesteryl ester transfer protein inhibitors
dc.title.alternative.pt_BR.fl_str_mv Bioorganic and Medicinal Chemistry
title 2D Quantitative structure–activity relationship studies on a series of cholesteryl ester transfer protein inhibitors
spellingShingle 2D Quantitative structure–activity relationship studies on a series of cholesteryl ester transfer protein inhibitors
Castilho, Marcelo Santos
QSAR
Coronary heart disease
Trifluoro-3-amino-2-propanol derivatives
CETP
Inhibitors
Coronariopatias
title_short 2D Quantitative structure–activity relationship studies on a series of cholesteryl ester transfer protein inhibitors
title_full 2D Quantitative structure–activity relationship studies on a series of cholesteryl ester transfer protein inhibitors
title_fullStr 2D Quantitative structure–activity relationship studies on a series of cholesteryl ester transfer protein inhibitors
title_full_unstemmed 2D Quantitative structure–activity relationship studies on a series of cholesteryl ester transfer protein inhibitors
title_sort 2D Quantitative structure–activity relationship studies on a series of cholesteryl ester transfer protein inhibitors
author Castilho, Marcelo Santos
author_facet Castilho, Marcelo Santos
Guido, Rafael V. C.
Andricopulo, Adriano D.
author_role author
author2 Guido, Rafael V. C.
Andricopulo, Adriano D.
author2_role author
author
dc.contributor.author.fl_str_mv Castilho, Marcelo Santos
Guido, Rafael V. C.
Andricopulo, Adriano D.
Castilho, Marcelo Santos
Guido, Rafael V. C.
Andricopulo, Adriano D.
dc.subject.por.fl_str_mv QSAR
Coronary heart disease
Trifluoro-3-amino-2-propanol derivatives
CETP
Inhibitors
Coronariopatias
topic QSAR
Coronary heart disease
Trifluoro-3-amino-2-propanol derivatives
CETP
Inhibitors
Coronariopatias
description Texto completo: acesso restrito. p. 6242-6252
publishDate 2007
dc.date.issued.fl_str_mv 2007
dc.date.accessioned.fl_str_mv 2014-01-21T20:58:37Z
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://repositorio.ufba.br/ri/handle/ri/14412
dc.identifier.issn.none.fl_str_mv 0968-0896
dc.identifier.number.pt_BR.fl_str_mv v. 15, n. 18
identifier_str_mv 0968-0896
v. 15, n. 18
url http://repositorio.ufba.br/ri/handle/ri/14412
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://dx.doi.org/10.1016/j.bmc.2007.06.021
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instname:Universidade Federal da Bahia (UFBA)
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