QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity

Autores
Garro Martinez, Juan Ceferino; Vega Hissi, Esteban Gabriel; Andrada, Matias Fernando; Estrada, Mario R.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Quantitative structure--activity relationships (QSAR and 3D-QSAR) have been applied in the last decade to obtain a reliable statistical model for the prediction of the anticonvulsant activities of new chemical entities. However, despite the large amount of information on QSAR, no recent review has published and discussed this data in detail. Areas covered: In this review, the authors provide a detailed discussion of QSAR studies that have been applied to compounds with anticonvulsant activity published between the years 2003 and 2013. They also evaluate the mathematical approaches and the main software used to develop the QSAR and 3D-QSAR model. Expert opinion: QSAR methodologies continue to attract the attention of researchers and provide valuable information for the development of new potentially active compounds including those with anticonvulsant activity. This has been helped in part by improvements in the size and performance of computers; the development of specific software and the development of novel molecular descriptors, which have given rise to new and more predictive QSAR models. The extensive development of descriptors, and the way by which descriptor values are derived, have allowed the evolution of the QSAR methods. This evolution could strengthen the QSAR methods as an important tool in research and development of new and more potent anticonvulsant agents.
Fil: Garro Martinez, Juan Ceferino. Universidad Nacional de San Luis. Facultad de Quimica, Bioquimica y Farmacia. Departamento de Quimica. Area de Quimica Fisica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina
Fil: Vega Hissi, Esteban Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Andrada, Matias Fernando. Universidad Nacional de San Luis. Facultad de Quimica, Bioquimica y Farmacia. Departamento de Quimica. Area de Quimica Fisica; Argentina
Fil: Estrada, Mario R.. Universidad Nacional de San Luis; Argentina
Materia
Qsar
3d-Qsar
Anticonvulsant
Antiepileptic
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:11336/7090
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/7090
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activityGarro Martinez, Juan CeferinoVega Hissi, Esteban GabrielAndrada, Matias FernandoEstrada, Mario R.Qsar3d-QsarAnticonvulsantAntiepileptichttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Quantitative structure--activity relationships (QSAR and 3D-QSAR) have been applied in the last decade to obtain a reliable statistical model for the prediction of the anticonvulsant activities of new chemical entities. However, despite the large amount of information on QSAR, no recent review has published and discussed this data in detail. Areas covered: In this review, the authors provide a detailed discussion of QSAR studies that have been applied to compounds with anticonvulsant activity published between the years 2003 and 2013. They also evaluate the mathematical approaches and the main software used to develop the QSAR and 3D-QSAR model. Expert opinion: QSAR methodologies continue to attract the attention of researchers and provide valuable information for the development of new potentially active compounds including those with anticonvulsant activity. This has been helped in part by improvements in the size and performance of computers; the development of specific software and the development of novel molecular descriptors, which have given rise to new and more predictive QSAR models. The extensive development of descriptors, and the way by which descriptor values are derived, have allowed the evolution of the QSAR methods. This evolution could strengthen the QSAR methods as an important tool in research and development of new and more potent anticonvulsant agents.Fil: Garro Martinez, Juan Ceferino. Universidad Nacional de San Luis. Facultad de Quimica, Bioquimica y Farmacia. Departamento de Quimica. Area de Quimica Fisica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; ArgentinaFil: Vega Hissi, Esteban Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina. Universidad Nacional de San Luis; ArgentinaFil: Andrada, Matias Fernando. Universidad Nacional de San Luis. Facultad de Quimica, Bioquimica y Farmacia. Departamento de Quimica. Area de Quimica Fisica; ArgentinaFil: Estrada, Mario R.. Universidad Nacional de San Luis; ArgentinaInforma Healthcare2014-10-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/7090Garro Martinez, Juan Ceferino; Vega Hissi, Esteban Gabriel; Andrada, Matias Fernando; Estrada, Mario R.; QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity; Informa Healthcare; Expert Opinion On Drug Discovery; 10; 1; 9-10-2014; 37-511746-0441enginfo:eu-repo/semantics/altIdentifier/doi/info:eu-repo/semantics/altIdentifier/doi/10.1517/17460441.2015.968123info:eu-repo/semantics/altIdentifier/pmid/25297377info:eu-repo/semantics/altIdentifier/url/http://www.tandfonline.com/doi/abs/10.1517/17460441.2015.968123?journalCode=iedc20info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:17:43Zoai:ri.conicet.gov.ar:11336/7090instacron: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:34982025-09-10 13:17:43.499CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity
title QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity
spellingShingle QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity
Garro Martinez, Juan Ceferino
Qsar
3d-Qsar
Anticonvulsant
Antiepileptic
title_short QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity
title_full QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity
title_fullStr QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity
title_full_unstemmed QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity
title_sort QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity
dc.creator.none.fl_str_mv Garro Martinez, Juan Ceferino
Vega Hissi, Esteban Gabriel
Andrada, Matias Fernando
Estrada, Mario R.
author Garro Martinez, Juan Ceferino
author_facet Garro Martinez, Juan Ceferino
Vega Hissi, Esteban Gabriel
Andrada, Matias Fernando
Estrada, Mario R.
author_role author
author2 Vega Hissi, Esteban Gabriel
Andrada, Matias Fernando
Estrada, Mario R.
author2_role author
author
author
dc.subject.none.fl_str_mv Qsar
3d-Qsar
Anticonvulsant
Antiepileptic
topic Qsar
3d-Qsar
Anticonvulsant
Antiepileptic
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Quantitative structure--activity relationships (QSAR and 3D-QSAR) have been applied in the last decade to obtain a reliable statistical model for the prediction of the anticonvulsant activities of new chemical entities. However, despite the large amount of information on QSAR, no recent review has published and discussed this data in detail. Areas covered: In this review, the authors provide a detailed discussion of QSAR studies that have been applied to compounds with anticonvulsant activity published between the years 2003 and 2013. They also evaluate the mathematical approaches and the main software used to develop the QSAR and 3D-QSAR model. Expert opinion: QSAR methodologies continue to attract the attention of researchers and provide valuable information for the development of new potentially active compounds including those with anticonvulsant activity. This has been helped in part by improvements in the size and performance of computers; the development of specific software and the development of novel molecular descriptors, which have given rise to new and more predictive QSAR models. The extensive development of descriptors, and the way by which descriptor values are derived, have allowed the evolution of the QSAR methods. This evolution could strengthen the QSAR methods as an important tool in research and development of new and more potent anticonvulsant agents.
Fil: Garro Martinez, Juan Ceferino. Universidad Nacional de San Luis. Facultad de Quimica, Bioquimica y Farmacia. Departamento de Quimica. Area de Quimica Fisica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina
Fil: Vega Hissi, Esteban Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico San Luis. Instituto Multidisciplinario de Investigaciones Biológicas de San Luis; Argentina. Universidad Nacional de San Luis; Argentina
Fil: Andrada, Matias Fernando. Universidad Nacional de San Luis. Facultad de Quimica, Bioquimica y Farmacia. Departamento de Quimica. Area de Quimica Fisica; Argentina
Fil: Estrada, Mario R.. Universidad Nacional de San Luis; Argentina
description Quantitative structure--activity relationships (QSAR and 3D-QSAR) have been applied in the last decade to obtain a reliable statistical model for the prediction of the anticonvulsant activities of new chemical entities. However, despite the large amount of information on QSAR, no recent review has published and discussed this data in detail. Areas covered: In this review, the authors provide a detailed discussion of QSAR studies that have been applied to compounds with anticonvulsant activity published between the years 2003 and 2013. They also evaluate the mathematical approaches and the main software used to develop the QSAR and 3D-QSAR model. Expert opinion: QSAR methodologies continue to attract the attention of researchers and provide valuable information for the development of new potentially active compounds including those with anticonvulsant activity. This has been helped in part by improvements in the size and performance of computers; the development of specific software and the development of novel molecular descriptors, which have given rise to new and more predictive QSAR models. The extensive development of descriptors, and the way by which descriptor values are derived, have allowed the evolution of the QSAR methods. This evolution could strengthen the QSAR methods as an important tool in research and development of new and more potent anticonvulsant agents.
publishDate 2014
dc.date.none.fl_str_mv 2014-10-09
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/11336/7090
Garro Martinez, Juan Ceferino; Vega Hissi, Esteban Gabriel; Andrada, Matias Fernando; Estrada, Mario R.; QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity; Informa Healthcare; Expert Opinion On Drug Discovery; 10; 1; 9-10-2014; 37-51
1746-0441
url http://hdl.handle.net/11336/7090
identifier_str_mv Garro Martinez, Juan Ceferino; Vega Hissi, Esteban Gabriel; Andrada, Matias Fernando; Estrada, Mario R.; QSAR and 3D-QSAR studies applied to compounds with anticonvulsant activity; Informa Healthcare; Expert Opinion On Drug Discovery; 10; 1; 9-10-2014; 37-51
1746-0441
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/
info:eu-repo/semantics/altIdentifier/doi/10.1517/17460441.2015.968123
info:eu-repo/semantics/altIdentifier/pmid/25297377
info:eu-repo/semantics/altIdentifier/url/http://www.tandfonline.com/doi/abs/10.1517/17460441.2015.968123?journalCode=iedc20
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
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Informa Healthcare
publisher.none.fl_str_mv Informa Healthcare
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
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score 13.004268

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