Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana

Detalhes bibliográficos
Autor(a) principal: Freitas, Humberto F.
Data de Publicação: 2009
Outros Autores: Paz, Odailson S., Castilho, Marcelo Santos
Tipo de documento: Artigo
Idioma: por
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/3791
Resumo: p. 2114-2121.
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spelling Freitas, Humberto F.Paz, Odailson S.Castilho, Marcelo SantosFreitas, Humberto F.Paz, Odailson S.Castilho, Marcelo Santos2011-11-21T12:30:00Z2011-11-21T12:30:00Z20090100-4042http://www.repositorio.ufba.br/ri/handle/ri/3791v. 32, n. 8.p. 2114-2121.Alzheimer's disease (AD) is considered the main cause of cognitive decline in adults. The available therapies for AD treatment seek to maintain the activity of cholinergic system through the inhibition of the enzyme acetylcholinesterase. However, butyrylcholinesterase (BuChE) can be considered an alternative target for AD treatment. Aiming at developing new BuChE inhibitors, robust QSAR 3D models with high predictive power were developed. The best model presents a good fit (r2=0.82, q2=0.76, with two PCs) and high predictive power (r2predict=0.88). Analysis of regression vector shows that steric properties have considerable importance to the inhibition of the BuChE.Submitted by JURANDI DE SOUZA SILVA (jssufba@hotmail.com) on 2011-11-21T12:30:00Z No. of bitstreams: 1 v32n8a24.pdf: 876222 bytes, checksum: 96dfa35419679c4db83b92e93f989707 (MD5)Made available in DSpace on 2011-11-21T12:30:00Z (GMT). No. of bitstreams: 1 v32n8a24.pdf: 876222 bytes, checksum: 96dfa35419679c4db83b92e93f989707 (MD5) Previous issue date: 2009São PauloButyrylcholinesteraseAlzheimerQSAR 3DEstudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humanaQuímica Novainfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleporreponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAinfo:eu-repo/semantics/openAccessORIGINALv32n8a24.pdfv32n8a24.pdfapplication/pdf876222https://repositorio.ufba.br/bitstream/ri/3791/1/v32n8a24.pdf96dfa35419679c4db83b92e93f989707MD51LICENSElicense.txtlicense.txttext/plain1906https://repositorio.ufba.br/bitstream/ri/3791/2/license.txtf752ab3dc337d5c2c1765ac11fa3ba77MD52TEXTv32n8a24.pdf.txtv32n8a24.pdf.txtExtracted texttext/plain38778https://repositorio.ufba.br/bitstream/ri/3791/3/v32n8a24.pdf.txt11bd28708518cb3617e7709d52525c5eMD53ri/37912022-07-05 14:03:15.202oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:15Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana
dc.title.alternative.pt_BR.fl_str_mv Química Nova
title Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana
spellingShingle Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana
Freitas, Humberto F.
Butyrylcholinesterase
Alzheimer
QSAR 3D
title_short Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana
title_full Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana
title_fullStr Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana
title_full_unstemmed Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana
title_sort Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana
author Freitas, Humberto F.
author_facet Freitas, Humberto F.
Paz, Odailson S.
Castilho, Marcelo Santos
author_role author
author2 Paz, Odailson S.
Castilho, Marcelo Santos
author2_role author
author
dc.contributor.author.fl_str_mv Freitas, Humberto F.
Paz, Odailson S.
Castilho, Marcelo Santos
Freitas, Humberto F.
Paz, Odailson S.
Castilho, Marcelo Santos
dc.subject.por.fl_str_mv Butyrylcholinesterase
Alzheimer
QSAR 3D
topic Butyrylcholinesterase
Alzheimer
QSAR 3D
description p. 2114-2121.
publishDate 2009
dc.date.issued.fl_str_mv 2009
dc.date.accessioned.fl_str_mv 2011-11-21T12:30:00Z
dc.date.available.fl_str_mv 2011-11-21T12:30:00Z
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/3791
dc.identifier.issn.none.fl_str_mv 0100-4042
dc.identifier.number.pt_BR.fl_str_mv v. 32, n. 8.
identifier_str_mv 0100-4042
v. 32, n. 8.
url http://www.repositorio.ufba.br/ri/handle/ri/3791
dc.language.iso.fl_str_mv por
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dc.source.none.fl_str_mv reponame:Repositório Institucional da UFBA
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