Structure-Activity Relationship of Compounds which are Anti-Schistosomiasis Active

Detalhes bibliográficos
Autor(a) principal: Alves,Cláudio Nahum
Data de Publicação: 1998
Outros Autores: Barroso,Lúcia Pereira, Santos,Lourivaldo S., Jardim,Iselino Nogueira
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Journal of the Brazilian Chemical Society (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50531998000600010
Resumo: The molecular orbital method AM1 was employed to calculate a set of molecular descriptors for twenty synthetic neolignan derivatives with anti-schistosomiasis activity. The pattern recognition method (principal component analysis PCA and cluster analysis CA and discriminant analysis methods) have been employed to obtain the relationship between the molecular descriptors and biological activity. The set of molecules was classified into two groups according to their degree of biological activity. These results allow us to rationally project new compounds, potential candidates for synthesis and biological evaluation.
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spelling Structure-Activity Relationship of Compounds which are Anti-Schistosomiasis ActiveAM1neolignansanti-schistosomiasismolecular descriptorspattern recognition methodThe molecular orbital method AM1 was employed to calculate a set of molecular descriptors for twenty synthetic neolignan derivatives with anti-schistosomiasis activity. The pattern recognition method (principal component analysis PCA and cluster analysis CA and discriminant analysis methods) have been employed to obtain the relationship between the molecular descriptors and biological activity. The set of molecules was classified into two groups according to their degree of biological activity. These results allow us to rationally project new compounds, potential candidates for synthesis and biological evaluation.Sociedade Brasileira de Química1998-12-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50531998000600010Journal of the Brazilian Chemical Society v.9 n.6 1998reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.1590/S0103-50531998000600010info:eu-repo/semantics/openAccessAlves,Cláudio NahumBarroso,Lúcia PereiraSantos,Lourivaldo S.Jardim,Iselino Nogueiraeng2002-10-25T00:00:00Zoai:scielo:S0103-50531998000600010Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2002-10-25T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Structure-Activity Relationship of Compounds which are Anti-Schistosomiasis Active
title Structure-Activity Relationship of Compounds which are Anti-Schistosomiasis Active
spellingShingle Structure-Activity Relationship of Compounds which are Anti-Schistosomiasis Active
Alves,Cláudio Nahum
AM1
neolignans
anti-schistosomiasis
molecular descriptors
pattern recognition method
title_short Structure-Activity Relationship of Compounds which are Anti-Schistosomiasis Active
title_full Structure-Activity Relationship of Compounds which are Anti-Schistosomiasis Active
title_fullStr Structure-Activity Relationship of Compounds which are Anti-Schistosomiasis Active
title_full_unstemmed Structure-Activity Relationship of Compounds which are Anti-Schistosomiasis Active
title_sort Structure-Activity Relationship of Compounds which are Anti-Schistosomiasis Active
author Alves,Cláudio Nahum
author_facet Alves,Cláudio Nahum
Barroso,Lúcia Pereira
Santos,Lourivaldo S.
Jardim,Iselino Nogueira
author_role author
author2 Barroso,Lúcia Pereira
Santos,Lourivaldo S.
Jardim,Iselino Nogueira
author2_role author
author
author
dc.contributor.author.fl_str_mv Alves,Cláudio Nahum
Barroso,Lúcia Pereira
Santos,Lourivaldo S.
Jardim,Iselino Nogueira
dc.subject.por.fl_str_mv AM1
neolignans
anti-schistosomiasis
molecular descriptors
pattern recognition method
topic AM1
neolignans
anti-schistosomiasis
molecular descriptors
pattern recognition method
description The molecular orbital method AM1 was employed to calculate a set of molecular descriptors for twenty synthetic neolignan derivatives with anti-schistosomiasis activity. The pattern recognition method (principal component analysis PCA and cluster analysis CA and discriminant analysis methods) have been employed to obtain the relationship between the molecular descriptors and biological activity. The set of molecules was classified into two groups according to their degree of biological activity. These results allow us to rationally project new compounds, potential candidates for synthesis and biological evaluation.
publishDate 1998
dc.date.none.fl_str_mv 1998-12-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50531998000600010
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50531998000600010
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-50531998000600010
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Journal of the Brazilian Chemical Society v.9 n.6 1998
reponame:Journal of the Brazilian Chemical Society (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Journal of the Brazilian Chemical Society (Online)
collection Journal of the Brazilian Chemical Society (Online)
repository.name.fl_str_mv Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv ||office@jbcs.sbq.org.br
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