Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach

Detalhes bibliográficos
Autor(a) principal: Delgadillo-Armendariz,Nancy L.
Data de Publicação: 2014
Outros Autores: Rangel-Vazquez,Norma A., Marquez-Brazon,Edgar A., Rojas-De Gascue,Blanca
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000900014
Resumo: A hydrogel comprised of chitosan crosslinked using the low-toxicity crosslinker genipin was prepared, and the absorption of glibenclamide by the hydrogel was investigated. Optimized structures and their molecular electrostatic potentials were calculated using the AM1 method, and the results were used to evaluate the molecular interactions between the three compounds. The quantitative structure-property relationship model was also used to estimate the activity of the chemicals on the basis their molecular structures. In addition, theoretical Fourier transform infrared spectra were calculated to analyze the intermolecular interactions in the proposed system. Finally, the hydrophilicity of the hydrogel and its influence on the absorption process were also estimated.
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spelling Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approachchitosangenipinglibenclamideFTIRQSPR modelingA hydrogel comprised of chitosan crosslinked using the low-toxicity crosslinker genipin was prepared, and the absorption of glibenclamide by the hydrogel was investigated. Optimized structures and their molecular electrostatic potentials were calculated using the AM1 method, and the results were used to evaluate the molecular interactions between the three compounds. The quantitative structure-property relationship model was also used to estimate the activity of the chemicals on the basis their molecular structures. In addition, theoretical Fourier transform infrared spectra were calculated to analyze the intermolecular interactions in the proposed system. Finally, the hydrophilicity of the hydrogel and its influence on the absorption process were also estimated.Sociedade Brasileira de Química2014-01-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000900014Química Nova v.37 n.9 2014reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.5935/0100-4042.20140243info:eu-repo/semantics/openAccessDelgadillo-Armendariz,Nancy L.Rangel-Vazquez,Norma A.Marquez-Brazon,Edgar A.Rojas-De Gascue,Blancaeng2014-10-24T00:00:00Zoai:scielo:S0100-40422014000900014Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2014-10-24T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach
title Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach
spellingShingle Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach
Delgadillo-Armendariz,Nancy L.
chitosan
genipin
glibenclamide
FTIR
QSPR modeling
title_short Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach
title_full Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach
title_fullStr Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach
title_full_unstemmed Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach
title_sort Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach
author Delgadillo-Armendariz,Nancy L.
author_facet Delgadillo-Armendariz,Nancy L.
Rangel-Vazquez,Norma A.
Marquez-Brazon,Edgar A.
Rojas-De Gascue,Blanca
author_role author
author2 Rangel-Vazquez,Norma A.
Marquez-Brazon,Edgar A.
Rojas-De Gascue,Blanca
author2_role author
author
author
dc.contributor.author.fl_str_mv Delgadillo-Armendariz,Nancy L.
Rangel-Vazquez,Norma A.
Marquez-Brazon,Edgar A.
Rojas-De Gascue,Blanca
dc.subject.por.fl_str_mv chitosan
genipin
glibenclamide
FTIR
QSPR modeling
topic chitosan
genipin
glibenclamide
FTIR
QSPR modeling
description A hydrogel comprised of chitosan crosslinked using the low-toxicity crosslinker genipin was prepared, and the absorption of glibenclamide by the hydrogel was investigated. Optimized structures and their molecular electrostatic potentials were calculated using the AM1 method, and the results were used to evaluate the molecular interactions between the three compounds. The quantitative structure-property relationship model was also used to estimate the activity of the chemicals on the basis their molecular structures. In addition, theoretical Fourier transform infrared spectra were calculated to analyze the intermolecular interactions in the proposed system. Finally, the hydrophilicity of the hydrogel and its influence on the absorption process were also estimated.
publishDate 2014
dc.date.none.fl_str_mv 2014-01-01
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=S0100-40422014000900014
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422014000900014
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.5935/0100-4042.20140243
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.37 n.9 2014
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
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