Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology

Autores
Ponce, A.M.; Blanco, Sonia Encarnacion; Molina, A. Stegio; García Domenech, Ramon; Gálvez, Jorge
Año de publicación
2000
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
A study was performed on xanthine-oxidase inhibition by 22 flavonoids, including flavones, flavonols, flavanones, and chalcones, using UV spectroscopy for experimental data and molecular topology to establish the structure-activity relationship (SAR) model. The flavonoids were classified into four groups according to their activity on xanthine-oxidase (inactive, low, significant, or high), and linear discriminant analysis was used to classify each compound within a group. The results led to a very good model, which was able to classify correctly as xanthine oxidase inhibitors, along with a test set of molecules including a variety of different compounds such as allopurinol, caffeic acid, esculetin, and alloxantin.
Fil: Ponce, A.M.. Universidad Nacional de San Luis; Argentina
Fil: Blanco, Sonia Encarnacion. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina
Fil: Molina, A. Stegio. Universidad Nacional de San Luis; Argentina
Fil: García Domenech, Ramon. Universidad de Valencia; España
Fil: Gálvez, Jorge. Universidad de Valencia; España
Materia
Flavonoid
Chemical structure
Hydroxyls
Inhibition
Mathematical methods
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/128533
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Study of the action of Flavonoids on Xanthine-Oxidase by molecular topologyPonce, A.M.Blanco, Sonia EncarnacionMolina, A. StegioGarcía Domenech, RamonGálvez, JorgeFlavonoidChemical structureHydroxylsInhibitionMathematical methodshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1A study was performed on xanthine-oxidase inhibition by 22 flavonoids, including flavones, flavonols, flavanones, and chalcones, using UV spectroscopy for experimental data and molecular topology to establish the structure-activity relationship (SAR) model. The flavonoids were classified into four groups according to their activity on xanthine-oxidase (inactive, low, significant, or high), and linear discriminant analysis was used to classify each compound within a group. The results led to a very good model, which was able to classify correctly as xanthine oxidase inhibitors, along with a test set of molecules including a variety of different compounds such as allopurinol, caffeic acid, esculetin, and alloxantin.Fil: Ponce, A.M.. Universidad Nacional de San Luis; ArgentinaFil: Blanco, Sonia Encarnacion. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; ArgentinaFil: Molina, A. Stegio. Universidad Nacional de San Luis; ArgentinaFil: García Domenech, Ramon. Universidad de Valencia; EspañaFil: Gálvez, Jorge. Universidad de Valencia; EspañaAmerican Chemical Society2000-06-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/128533Ponce, A.M.; Blanco, Sonia Encarnacion; Molina, A. Stegio; García Domenech, Ramon; Gálvez, Jorge; Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology; American Chemical Society; Journal Of Chemical Information And Computer Sciences; 40; 4; 1-6-2000; 1039-10450095-2338CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/ci000020kinfo:eu-repo/semantics/altIdentifier/doi/10.1021/ci000020kinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-11-12T09:39:56Zoai:ri.conicet.gov.ar:11336/128533instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-11-12 09:39:57.255CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology
title Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology
spellingShingle Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology
Ponce, A.M.
Flavonoid
Chemical structure
Hydroxyls
Inhibition
Mathematical methods
title_short Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology
title_full Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology
title_fullStr Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology
title_full_unstemmed Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology
title_sort Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology
dc.creator.none.fl_str_mv Ponce, A.M.
Blanco, Sonia Encarnacion
Molina, A. Stegio
García Domenech, Ramon
Gálvez, Jorge
author Ponce, A.M.
author_facet Ponce, A.M.
Blanco, Sonia Encarnacion
Molina, A. Stegio
García Domenech, Ramon
Gálvez, Jorge
author_role author
author2 Blanco, Sonia Encarnacion
Molina, A. Stegio
García Domenech, Ramon
Gálvez, Jorge
author2_role author
author
author
author
dc.subject.none.fl_str_mv Flavonoid
Chemical structure
Hydroxyls
Inhibition
Mathematical methods
topic Flavonoid
Chemical structure
Hydroxyls
Inhibition
Mathematical methods
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv A study was performed on xanthine-oxidase inhibition by 22 flavonoids, including flavones, flavonols, flavanones, and chalcones, using UV spectroscopy for experimental data and molecular topology to establish the structure-activity relationship (SAR) model. The flavonoids were classified into four groups according to their activity on xanthine-oxidase (inactive, low, significant, or high), and linear discriminant analysis was used to classify each compound within a group. The results led to a very good model, which was able to classify correctly as xanthine oxidase inhibitors, along with a test set of molecules including a variety of different compounds such as allopurinol, caffeic acid, esculetin, and alloxantin.
Fil: Ponce, A.M.. Universidad Nacional de San Luis; Argentina
Fil: Blanco, Sonia Encarnacion. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis. Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina
Fil: Molina, A. Stegio. Universidad Nacional de San Luis; Argentina
Fil: García Domenech, Ramon. Universidad de Valencia; España
Fil: Gálvez, Jorge. Universidad de Valencia; España
description A study was performed on xanthine-oxidase inhibition by 22 flavonoids, including flavones, flavonols, flavanones, and chalcones, using UV spectroscopy for experimental data and molecular topology to establish the structure-activity relationship (SAR) model. The flavonoids were classified into four groups according to their activity on xanthine-oxidase (inactive, low, significant, or high), and linear discriminant analysis was used to classify each compound within a group. The results led to a very good model, which was able to classify correctly as xanthine oxidase inhibitors, along with a test set of molecules including a variety of different compounds such as allopurinol, caffeic acid, esculetin, and alloxantin.
publishDate 2000
dc.date.none.fl_str_mv 2000-06-01
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/128533
Ponce, A.M.; Blanco, Sonia Encarnacion; Molina, A. Stegio; García Domenech, Ramon; Gálvez, Jorge; Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology; American Chemical Society; Journal Of Chemical Information And Computer Sciences; 40; 4; 1-6-2000; 1039-1045
0095-2338
CONICET Digital
CONICET
url http://hdl.handle.net/11336/128533
identifier_str_mv Ponce, A.M.; Blanco, Sonia Encarnacion; Molina, A. Stegio; García Domenech, Ramon; Gálvez, Jorge; Study of the action of Flavonoids on Xanthine-Oxidase by molecular topology; American Chemical Society; Journal Of Chemical Information And Computer Sciences; 40; 4; 1-6-2000; 1039-1045
0095-2338
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/ci000020k
info:eu-repo/semantics/altIdentifier/doi/10.1021/ci000020k
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1848597474844868608
score 12.976206

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