In silico and in vitro: identifying new drugs

Detalhes bibliográficos
Autor(a) principal: Pauli, Ivani
Data de Publicação: 2008
Outros Autores: Timmers, Luis Fernando Saraiva Macedo, Caceres, Rafael Andrade, Soares, Milena Botelho Pereira, Azevedo Junior, Walter Filgueira de
Tipo de documento: Artigo
Idioma: por
Título da fonte: Repositório Institucional da FIOCRUZ (ARCA)
Texto Completo: https://www.arca.fiocruz.br/handle/icict/10114
Resumo: Pontifícia Universidade Católica do Rio Grande do Sul. Faculdade de Biociências. Laboratório de Bioquímica Estrutural. Porto Alegre, RS, Brasil
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spelling Pauli, IvaniTimmers, Luis Fernando Saraiva MacedoCaceres, Rafael AndradeSoares, Milena Botelho PereiraAzevedo Junior, Walter Filgueira de2015-04-22T18:52:19Z2015-04-22T18:52:19Z2008PAULI, I. et al. In silico and in vitro: identifying new drugs. Current Drug Targets, v. 9, n. 12, p. 1054-1061, 2008.1873-5592https://www.arca.fiocruz.br/handle/icict/10114porBentham Science Publishers LtdIn silico and in vitro: identifying new drugsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlePontifícia Universidade Católica do Rio Grande do Sul. Faculdade de Biociências. Laboratório de Bioquímica Estrutural. Porto Alegre, RS, BrasilPontifícia Universidade Católica do Rio Grande do Sul. Faculdade de Biociências. Laboratório de Bioquímica Estrutural. Porto Alegre, RS, BrasilPontifícia Universidade Católica do Rio Grande do Sul. Faculdade de Biociências. Laboratório de Bioquímica Estrutural. Porto Alegre, RS, Brasil / Pontifícia Universidade Católica do Rio Grande do Sul. Porto Alegre, RS, BrasilFundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, BrasilPontifícia Universidade Católica do Rio Grande do Sul. Faculdade de Biociências. Laboratório de Bioquímica Estrutural. Porto Alegre, RS, Brasil / Pontifícia Universidade Católica do Rio Grande do Sul. Porto Alegre, RS, Brasil: Drug development is a high cost and laborious process, requiring a number of tests until a drug is made available in the market. Therefore, the use of methods to screen large number of molecules with less cost is crucial for faster identification of hits and leads. One strategy to identify drug-like molecules is the search for molecules able to interfere with a protein function, since protein interactions control most biological processes. Ideally the use of in silico screenings would make drug development faster and less expensive. Currently, however, the confirmation of biological activity is still needed. Due to the complexity of the task of drug discovery, an integrated and multi-disciplinary approach is ultimately required. Here we discuss examples of drugs developed through a combination of in silico and in vitro strategies. The potential use of these methodologies for the identification of active compounds as well as for early toxicity and bioavailability is also reviewedProtein targetDrug developmentIn silico screeningIn vitro screening, pharmacokineticsDesenho de DrogasPreparações Farmacêuticas/químicaAnsiolíticos/químicaAnsiolíticos/farmacocinéticaAntidepressivos/químicaAntidepressivos/farmacologiaInibidores da Protease HIV/químicaInibidores da Protease HIV/farmacologiaTécnicas In VitroModelos MolecularesProteínas/químicaRelação Estrutura-Atividadeinfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da FIOCRUZ (ARCA)instname:Fundação Oswaldo Cruz (FIOCRUZ)instacron:FIOCRUZLICENSElicense.txtlicense.txttext/plain; charset=utf-82352https://www.arca.fiocruz.br/bitstream/icict/10114/1/license.txtafbdf7d7a9bcf771a1cc7edf5f618413MD51ORIGINALPauli I In silico and....pdfPauli I In silico and....pdfapplication/pdf214009https://www.arca.fiocruz.br/bitstream/icict/10114/2/Pauli%20I%20In%20silico%20and....pdf7fb987f1512d9c4d7b7d6b73af667c11MD52TEXTPauli I In silico and....pdf.txtPauli I In silico and....pdf.txtExtracted texttext/plain39314https://www.arca.fiocruz.br/bitstream/icict/10114/3/Pauli%20I%20In%20silico%20and....pdf.txtce872739fa77beeefa5dc7a38a6f261dMD53icict/101142023-03-15 14:33:13.374oai:www.arca.fiocruz.br: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ório InstitucionalPUBhttps://www.arca.fiocruz.br/oai/requestrepositorio.arca@fiocruz.bropendoar:21352023-03-15T17:33:13Repositório Institucional da FIOCRUZ (ARCA) - Fundação Oswaldo Cruz (FIOCRUZ)false
dc.title.pt_BR.fl_str_mv In silico and in vitro: identifying new drugs
title In silico and in vitro: identifying new drugs
spellingShingle In silico and in vitro: identifying new drugs
Pauli, Ivani
Protein target
Drug development
In silico screening
In vitro screening, pharmacokinetics
Desenho de Drogas
Preparações Farmacêuticas/química
Ansiolíticos/química
Ansiolíticos/farmacocinética
Antidepressivos/química
Antidepressivos/farmacologia
Inibidores da Protease HIV/química
Inibidores da Protease HIV/farmacologia
Técnicas In Vitro
Modelos Moleculares
Proteínas/química
Relação Estrutura-Atividade
title_short In silico and in vitro: identifying new drugs
title_full In silico and in vitro: identifying new drugs
title_fullStr In silico and in vitro: identifying new drugs
title_full_unstemmed In silico and in vitro: identifying new drugs
title_sort In silico and in vitro: identifying new drugs
author Pauli, Ivani
author_facet Pauli, Ivani
Timmers, Luis Fernando Saraiva Macedo
Caceres, Rafael Andrade
Soares, Milena Botelho Pereira
Azevedo Junior, Walter Filgueira de
author_role author
author2 Timmers, Luis Fernando Saraiva Macedo
Caceres, Rafael Andrade
Soares, Milena Botelho Pereira
Azevedo Junior, Walter Filgueira de
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Pauli, Ivani
Timmers, Luis Fernando Saraiva Macedo
Caceres, Rafael Andrade
Soares, Milena Botelho Pereira
Azevedo Junior, Walter Filgueira de
dc.subject.en.pt_BR.fl_str_mv Protein target
Drug development
In silico screening
In vitro screening, pharmacokinetics
topic Protein target
Drug development
In silico screening
In vitro screening, pharmacokinetics
Desenho de Drogas
Preparações Farmacêuticas/química
Ansiolíticos/química
Ansiolíticos/farmacocinética
Antidepressivos/química
Antidepressivos/farmacologia
Inibidores da Protease HIV/química
Inibidores da Protease HIV/farmacologia
Técnicas In Vitro
Modelos Moleculares
Proteínas/química
Relação Estrutura-Atividade
dc.subject.decs.pt_BR.fl_str_mv Desenho de Drogas
Preparações Farmacêuticas/química
Ansiolíticos/química
Ansiolíticos/farmacocinética
Antidepressivos/química
Antidepressivos/farmacologia
Inibidores da Protease HIV/química
Inibidores da Protease HIV/farmacologia
Técnicas In Vitro
Modelos Moleculares
Proteínas/química
Relação Estrutura-Atividade
description Pontifícia Universidade Católica do Rio Grande do Sul. Faculdade de Biociências. Laboratório de Bioquímica Estrutural. Porto Alegre, RS, Brasil
publishDate 2008
dc.date.issued.fl_str_mv 2008
dc.date.accessioned.fl_str_mv 2015-04-22T18:52:19Z
dc.date.available.fl_str_mv 2015-04-22T18:52:19Z
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.citation.fl_str_mv PAULI, I. et al. In silico and in vitro: identifying new drugs. Current Drug Targets, v. 9, n. 12, p. 1054-1061, 2008.
dc.identifier.uri.fl_str_mv https://www.arca.fiocruz.br/handle/icict/10114
dc.identifier.issn.none.fl_str_mv 1873-5592
identifier_str_mv PAULI, I. et al. In silico and in vitro: identifying new drugs. Current Drug Targets, v. 9, n. 12, p. 1054-1061, 2008.
1873-5592
url https://www.arca.fiocruz.br/handle/icict/10114
dc.language.iso.fl_str_mv por
language por
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Bentham Science Publishers Ltd
publisher.none.fl_str_mv Bentham Science Publishers Ltd
dc.source.none.fl_str_mv reponame:Repositório Institucional da FIOCRUZ (ARCA)
instname:Fundação Oswaldo Cruz (FIOCRUZ)
instacron:FIOCRUZ
instname_str Fundação Oswaldo Cruz (FIOCRUZ)
instacron_str FIOCRUZ
institution FIOCRUZ
reponame_str Repositório Institucional da FIOCRUZ (ARCA)
collection Repositório Institucional da FIOCRUZ (ARCA)
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