SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review

Detalhes bibliográficos
Autor(a) principal: Scotti, Luciana
Data de Publicação: 2012
Outros Autores: Mendonça Junior, Francisco Jaime Bezerra, Moreira, Diogo Rodrigo Magalhaes, Silva, Marcelo Sobral da, Pitta, Ivan da Rocha, Scotti, Marcus Tullius
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da FIOCRUZ (ARCA)
Texto Completo: https://www.arca.fiocruz.br/handle/icict/25606
Resumo: CNPq, CAPES and FAPESQ. I. R. P. is thankful to the INCT_if; D.R.M.M. holds a FAPESB
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spelling Scotti, LucianaMendonça Junior, Francisco Jaime BezerraMoreira, Diogo Rodrigo MagalhaesSilva, Marcelo Sobral daPitta, Ivan da RochaScotti, Marcus Tullius2018-04-04T13:45:16Z2018-04-04T13:45:16Z2012SCOTTI, L. et al. SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review. Current Topics in Medicinal Chemistry, v. 12, p. 2785-2809, 2012.1568-0266https://www.arca.fiocruz.br/handle/icict/25606CNPq, CAPES and FAPESQ. I. R. P. is thankful to the INCT_if; D.R.M.M. holds a FAPESBFederal University of Paraíba. Centre for Biotechnology. João Pessoa, PB, BrazilState University of Paraiba. Laboratory of Synthesis and Drug Delivery. Biological Science Department. João Pessoa, PB, BrazilFundação Oswaldo Cruz. Centro de Pesquisas Gonçalo Moniz. Salvador, BA, BrasilFederal University of Paraíba. Centre for Biotechnology. João Pessoa, PB, BrazilFederal University of Pernambuco. Departamento de Antibióticos. Recife, PE, BrazilFederal University of Paraíba. Department of Engineering and the Environment. Rio Tinto, PB, BrazilFlavonoids are phenolic compounds, secondary metabolites of plants that cause several benefits to our health, including helping the treatment against cancer. These pharmacological properties are associated with the ability of flavonoids in attenuating the generation of reactive oxygen species, acting as chelate compounds or affecting the oxi-redox cycle. In spite of the large number of information in term of SAR and QSAR, no recent review has tabulated and discussed in detail these data. In view of this, we bring here a detailed discussion of the structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) models. We have also analyzed the correlation between the chemical structure of flavonoids and analogues to their anticancer activities. A large number of methodologies have been used to identify the characteristics of these compounds with their potential anticancer: multiple linear regression, principal components analysis, comparative molecular field analysis, comparative molecular similarity indices analysis, partial least squares, neural networks, configuration of classification and regression trees, Free-Wilson, docking; using topological, structural and enthalpies’ descriptors. We also discussed the use of docking models, together with QSAR models, for the virtual screening of anticancer flavonoids. The importance of docking models to the medicinal chemistry of anticancer flavonoids has increased in the last decade, especially to help in identifying the structural determinants responsible for the activity. We tabulated here the most important examples of virtual screening determined for anticancer flavonoids and we highlighted the structural determinants. The mode of action, the most potent anticancer flavonoids and hints for the structural design of anticancer flavonoids are revised in details and provided here.engBentham Science PublishersCancerDescriptorsDockingFlavonoidsSARQSARCâncerDescritoresAncoragemFlavonóidesSARQSARSAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Reviewinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleinfo:eu-repo/semantics/openAccessreponame:Repositório Institucional da FIOCRUZ (ARCA)instname:Fundação Oswaldo Cruz (FIOCRUZ)instacron:FIOCRUZLICENSElicense.txtlicense.txttext/plain; charset=utf-82991https://www.arca.fiocruz.br/bitstream/icict/25606/1/license.txt5a560609d32a3863062d77ff32785d58MD51ORIGINALScotti L SAR, QSAR and Docking of Anticancer Flavonoids....pdfScotti L SAR, QSAR and Docking of Anticancer 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dc.title.pt_BR.fl_str_mv SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review
title SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review
spellingShingle SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review
Scotti, Luciana
Cancer
Descriptors
Docking
Flavonoids
SAR
QSAR
Câncer
Descritores
Ancoragem
Flavonóides
SAR
QSAR
title_short SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review
title_full SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review
title_fullStr SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review
title_full_unstemmed SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review
title_sort SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review
author Scotti, Luciana
author_facet Scotti, Luciana
Mendonça Junior, Francisco Jaime Bezerra
Moreira, Diogo Rodrigo Magalhaes
Silva, Marcelo Sobral da
Pitta, Ivan da Rocha
Scotti, Marcus Tullius
author_role author
author2 Mendonça Junior, Francisco Jaime Bezerra
Moreira, Diogo Rodrigo Magalhaes
Silva, Marcelo Sobral da
Pitta, Ivan da Rocha
Scotti, Marcus Tullius
author2_role author
author
author
author
author
dc.contributor.author.fl_str_mv Scotti, Luciana
Mendonça Junior, Francisco Jaime Bezerra
Moreira, Diogo Rodrigo Magalhaes
Silva, Marcelo Sobral da
Pitta, Ivan da Rocha
Scotti, Marcus Tullius
dc.subject.other.pt_BR.fl_str_mv Cancer
Descriptors
Docking
Flavonoids
SAR
QSAR
topic Cancer
Descriptors
Docking
Flavonoids
SAR
QSAR
Câncer
Descritores
Ancoragem
Flavonóides
SAR
QSAR
dc.subject.en.pt_BR.fl_str_mv Câncer
Descritores
Ancoragem
Flavonóides
SAR
QSAR
description CNPq, CAPES and FAPESQ. I. R. P. is thankful to the INCT_if; D.R.M.M. holds a FAPESB
publishDate 2012
dc.date.issued.fl_str_mv 2012
dc.date.accessioned.fl_str_mv 2018-04-04T13:45:16Z
dc.date.available.fl_str_mv 2018-04-04T13:45:16Z
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 SCOTTI, L. et al. SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review. Current Topics in Medicinal Chemistry, v. 12, p. 2785-2809, 2012.
dc.identifier.uri.fl_str_mv https://www.arca.fiocruz.br/handle/icict/25606
dc.identifier.issn.pt_BR.fl_str_mv 1568-0266
identifier_str_mv SCOTTI, L. et al. SAR, QSAR and Docking of Anticancer Flavonoids and Variants: A Review. Current Topics in Medicinal Chemistry, v. 12, p. 2785-2809, 2012.
1568-0266
url https://www.arca.fiocruz.br/handle/icict/25606
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.publisher.none.fl_str_mv Bentham Science Publishers
publisher.none.fl_str_mv Bentham Science Publishers
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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