Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica

Detalhes bibliográficos
Autor(a) principal: Carvalho,Ivone
Data de Publicação: 2003
Outros Autores: Pupo,Mônica T., Borges,Áurea D. L., Bernardes,Lílian S. C.
Tipo de documento: Artigo
Idioma: por
Título da fonte: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422003000300023
Resumo: Molecular Modeling is an important tool in drug design and it is very useful to predict biological activity from a library of compounds. A wide variety of computer programs and methods have been developed to visualize the tridimensional geometry and calculate physical properties of drugs. In this work, we describe a practical approach of molecular modeling as a powerful tool to study structure-activity relationships of drugs, including some antibacterials, hormones, cholinergic and adrenergic agents. At first, the students learn how to draw 3D structures and use them to perform conformational and molecular analysis. Thus, they compare drugs with similar pharmacological activity by superimposing one structure on the top of another and evaluate the geometry and physical properties.
id SBQ-3_22a1edb33289480abfbed9bb7377eeb4
oai_identifier_str oai:scielo:S0100-40422003000300023
network_acronym_str SBQ-3
network_name_str Química Nova (Online)
repository_id_str
spelling Introdução a modelagem molecular de fármacos no curso experimental de química farmacêuticamolecular modelingconformational analysisstructure-activity relationshipMolecular Modeling is an important tool in drug design and it is very useful to predict biological activity from a library of compounds. A wide variety of computer programs and methods have been developed to visualize the tridimensional geometry and calculate physical properties of drugs. In this work, we describe a practical approach of molecular modeling as a powerful tool to study structure-activity relationships of drugs, including some antibacterials, hormones, cholinergic and adrenergic agents. At first, the students learn how to draw 3D structures and use them to perform conformational and molecular analysis. Thus, they compare drugs with similar pharmacological activity by superimposing one structure on the top of another and evaluate the geometry and physical properties.Sociedade Brasileira de Química2003-05-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422003000300023Química Nova v.26 n.3 2003reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.1590/S0100-40422003000300023info:eu-repo/semantics/openAccessCarvalho,IvonePupo,Mônica T.Borges,Áurea D. L.Bernardes,Lílian S. C.por2003-05-28T00:00:00Zoai:scielo:S0100-40422003000300023Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2003-05-28T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica
title Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica
spellingShingle Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica
Carvalho,Ivone
molecular modeling
conformational analysis
structure-activity relationship
title_short Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica
title_full Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica
title_fullStr Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica
title_full_unstemmed Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica
title_sort Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica
author Carvalho,Ivone
author_facet Carvalho,Ivone
Pupo,Mônica T.
Borges,Áurea D. L.
Bernardes,Lílian S. C.
author_role author
author2 Pupo,Mônica T.
Borges,Áurea D. L.
Bernardes,Lílian S. C.
author2_role author
author
author
dc.contributor.author.fl_str_mv Carvalho,Ivone
Pupo,Mônica T.
Borges,Áurea D. L.
Bernardes,Lílian S. C.
dc.subject.por.fl_str_mv molecular modeling
conformational analysis
structure-activity relationship
topic molecular modeling
conformational analysis
structure-activity relationship
description Molecular Modeling is an important tool in drug design and it is very useful to predict biological activity from a library of compounds. A wide variety of computer programs and methods have been developed to visualize the tridimensional geometry and calculate physical properties of drugs. In this work, we describe a practical approach of molecular modeling as a powerful tool to study structure-activity relationships of drugs, including some antibacterials, hormones, cholinergic and adrenergic agents. At first, the students learn how to draw 3D structures and use them to perform conformational and molecular analysis. Thus, they compare drugs with similar pharmacological activity by superimposing one structure on the top of another and evaluate the geometry and physical properties.
publishDate 2003
dc.date.none.fl_str_mv 2003-05-01
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=S0100-40422003000300023
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422003000300023
dc.language.iso.fl_str_mv por
language por
dc.relation.none.fl_str_mv 10.1590/S0100-40422003000300023
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 Química Nova v.26 n.3 2003
reponame:Química Nova (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Química Nova (Online)
collection Química Nova (Online)
repository.name.fl_str_mv Química Nova (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv quimicanova@sbq.org.br
_version_ 1750318103143645184

Registros relacionados