Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach
Autor(a) principal: | |
---|---|
Data de Publicação: | 2014 |
Outros Autores: | , , |
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. |
id |
SBQ-3_6b81142a35511956159be7c135cbab3c |
---|---|
oai_identifier_str |
oai:scielo:S0100-40422014000900014 |
network_acronym_str |
SBQ-3 |
network_name_str |
Química Nova (Online) |
repository_id_str |
|
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 |
_version_ |
1750318116285448192 |