HÁ ALGO NOVO NO RECONHECIMENTO MOLECULAR APLICADO À QUÍMICA MEDICINAL?
Autor(a) principal: | |
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Data de Publicação: | 2020 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | por |
Título da fonte: | Química Nova (Online) |
Texto Completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422020000100078 |
Resumo: | In Medicinal Chemistry, the knowledge, the study and the understanding of the intermolecular interactions inherent to the molecular recognition of a ligand by its target bioreceptor are essential. This is because understanding these interactions, which define the molecular complementarity between the two, is the key to analyze critically structure-activity relationship studies, allowing the optimization of the modulation of a target bioreceptor by a ligand. Thus, it is necessary the constant study and analysis of intermolecular interactions related to the ligand-bioreceptor complexes. In general, these interactions are all electrostatic in nature, being traditionally classified into two large groups, the electrostatic forces themselves (such as those present in ion-dipole or ion-ion interactions) and van der Waals forces. Despite being well known, theoretical and experimental studies have revealed an increasing number of interactions mediated by these forces. This work presents and discusses intermolecular interactions considering “classical interactions” and “new interactions” in the context of Medicinal Chemistry, taking into account their current definitions, some theoretical principles of each interaction and addressing examples in which these interactions were important for complementarity between a ligand and a biorreceptor. |
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HÁ ALGO NOVO NO RECONHECIMENTO MOLECULAR APLICADO À QUÍMICA MEDICINAL?medicinal chemistrymolecular recognitionintermolecular and intramolecular interactionsIn Medicinal Chemistry, the knowledge, the study and the understanding of the intermolecular interactions inherent to the molecular recognition of a ligand by its target bioreceptor are essential. This is because understanding these interactions, which define the molecular complementarity between the two, is the key to analyze critically structure-activity relationship studies, allowing the optimization of the modulation of a target bioreceptor by a ligand. Thus, it is necessary the constant study and analysis of intermolecular interactions related to the ligand-bioreceptor complexes. In general, these interactions are all electrostatic in nature, being traditionally classified into two large groups, the electrostatic forces themselves (such as those present in ion-dipole or ion-ion interactions) and van der Waals forces. Despite being well known, theoretical and experimental studies have revealed an increasing number of interactions mediated by these forces. This work presents and discusses intermolecular interactions considering “classical interactions” and “new interactions” in the context of Medicinal Chemistry, taking into account their current definitions, some theoretical principles of each interaction and addressing examples in which these interactions were important for complementarity between a ligand and a biorreceptor.Sociedade Brasileira de Química2020-01-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422020000100078Química Nova v.43 n.1 2020reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0100-4042.20170474info:eu-repo/semantics/openAccessFokoue,Harold H.Pinheiro,Pedro S. M.Fraga,Carlos A. M.Sant’Anna,Carlos M. R.por2020-06-05T00:00:00Zoai:scielo:S0100-40422020000100078Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2020-06-05T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false |
dc.title.none.fl_str_mv |
HÁ ALGO NOVO NO RECONHECIMENTO MOLECULAR APLICADO À QUÍMICA MEDICINAL? |
title |
HÁ ALGO NOVO NO RECONHECIMENTO MOLECULAR APLICADO À QUÍMICA MEDICINAL? |
spellingShingle |
HÁ ALGO NOVO NO RECONHECIMENTO MOLECULAR APLICADO À QUÍMICA MEDICINAL? Fokoue,Harold H. medicinal chemistry molecular recognition intermolecular and intramolecular interactions |
title_short |
HÁ ALGO NOVO NO RECONHECIMENTO MOLECULAR APLICADO À QUÍMICA MEDICINAL? |
title_full |
HÁ ALGO NOVO NO RECONHECIMENTO MOLECULAR APLICADO À QUÍMICA MEDICINAL? |
title_fullStr |
HÁ ALGO NOVO NO RECONHECIMENTO MOLECULAR APLICADO À QUÍMICA MEDICINAL? |
title_full_unstemmed |
HÁ ALGO NOVO NO RECONHECIMENTO MOLECULAR APLICADO À QUÍMICA MEDICINAL? |
title_sort |
HÁ ALGO NOVO NO RECONHECIMENTO MOLECULAR APLICADO À QUÍMICA MEDICINAL? |
author |
Fokoue,Harold H. |
author_facet |
Fokoue,Harold H. Pinheiro,Pedro S. M. Fraga,Carlos A. M. Sant’Anna,Carlos M. R. |
author_role |
author |
author2 |
Pinheiro,Pedro S. M. Fraga,Carlos A. M. Sant’Anna,Carlos M. R. |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Fokoue,Harold H. Pinheiro,Pedro S. M. Fraga,Carlos A. M. Sant’Anna,Carlos M. R. |
dc.subject.por.fl_str_mv |
medicinal chemistry molecular recognition intermolecular and intramolecular interactions |
topic |
medicinal chemistry molecular recognition intermolecular and intramolecular interactions |
description |
In Medicinal Chemistry, the knowledge, the study and the understanding of the intermolecular interactions inherent to the molecular recognition of a ligand by its target bioreceptor are essential. This is because understanding these interactions, which define the molecular complementarity between the two, is the key to analyze critically structure-activity relationship studies, allowing the optimization of the modulation of a target bioreceptor by a ligand. Thus, it is necessary the constant study and analysis of intermolecular interactions related to the ligand-bioreceptor complexes. In general, these interactions are all electrostatic in nature, being traditionally classified into two large groups, the electrostatic forces themselves (such as those present in ion-dipole or ion-ion interactions) and van der Waals forces. Despite being well known, theoretical and experimental studies have revealed an increasing number of interactions mediated by these forces. This work presents and discusses intermolecular interactions considering “classical interactions” and “new interactions” in the context of Medicinal Chemistry, taking into account their current definitions, some theoretical principles of each interaction and addressing examples in which these interactions were important for complementarity between a ligand and a biorreceptor. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-01-01 |
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=S0100-40422020000100078 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422020000100078 |
dc.language.iso.fl_str_mv |
por |
language |
por |
dc.relation.none.fl_str_mv |
10.21577/0100-4042.20170474 |
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.43 n.1 2020 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_ |
1750318120099119104 |