Pharmacophore model for antiepileptic drugs acting on sodium channels

Autores
Tasso, Silvina Mabel; Bruno Blanch, Luis Enrique; Estiú, Guillermina
Año de publicación
2001
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Fifteen antiepileptic drugs (AED), active against the maximal electroshock seizure test and able to block the neuronal voltage-dependent sodium channel, have been studied by means of a similarity analysis. Structural and electronic, quantum chemically derived characteristics are compared. Rigid analogs are included, because of the flexibility of some structures, in order to discern the conformational requirements associated with these ligands in the moment of the interaction. An inactive compound (ethosuximide) helps in the definition of the structural factors that are important for the activity. We propose a pharmacophore model that, giving an interpretation of the biological activity, allows the design of new AED with a well-defined mechanism of interaction.
Facultad de Ciencias Exactas
Centro de Química Inorgánica
Materia
Biología
Química
Pharmacophore
Sodium channel
Antiepileptic
Rational drug design
Quantum chemical molecular design
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/137335
Acceder
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oai_identifier_str oai:sedici.unlp.edu.ar:10915/137335
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Pharmacophore model for antiepileptic drugs acting on sodium channelsTasso, Silvina MabelBruno Blanch, Luis EnriqueEstiú, GuillerminaBiologíaQuímicaPharmacophoreSodium channelAntiepilepticRational drug designQuantum chemical molecular designFifteen antiepileptic drugs (AED), active against the maximal electroshock seizure test and able to block the neuronal voltage-dependent sodium channel, have been studied by means of a similarity analysis. Structural and electronic, quantum chemically derived characteristics are compared. Rigid analogs are included, because of the flexibility of some structures, in order to discern the conformational requirements associated with these ligands in the moment of the interaction. An inactive compound (ethosuximide) helps in the definition of the structural factors that are important for the activity. We propose a pharmacophore model that, giving an interpretation of the biological activity, allows the design of new AED with a well-defined mechanism of interaction.Facultad de Ciencias ExactasCentro de Química Inorgánica2001-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf231-239http://sedici.unlp.edu.ar/handle/10915/137335enginfo:eu-repo/semantics/altIdentifier/issn/1610-2940info:eu-repo/semantics/altIdentifier/issn/0948-5023info:eu-repo/semantics/altIdentifier/doi/10.1007/s008940100033info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:32:02Zoai:sedici.unlp.edu.ar:10915/137335Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:32:02.458SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Pharmacophore model for antiepileptic drugs acting on sodium channels
title Pharmacophore model for antiepileptic drugs acting on sodium channels
spellingShingle Pharmacophore model for antiepileptic drugs acting on sodium channels
Tasso, Silvina Mabel
Biología
Química
Pharmacophore
Sodium channel
Antiepileptic
Rational drug design
Quantum chemical molecular design
title_short Pharmacophore model for antiepileptic drugs acting on sodium channels
title_full Pharmacophore model for antiepileptic drugs acting on sodium channels
title_fullStr Pharmacophore model for antiepileptic drugs acting on sodium channels
title_full_unstemmed Pharmacophore model for antiepileptic drugs acting on sodium channels
title_sort Pharmacophore model for antiepileptic drugs acting on sodium channels
dc.creator.none.fl_str_mv Tasso, Silvina Mabel
Bruno Blanch, Luis Enrique
Estiú, Guillermina
author Tasso, Silvina Mabel
author_facet Tasso, Silvina Mabel
Bruno Blanch, Luis Enrique
Estiú, Guillermina
author_role author
author2 Bruno Blanch, Luis Enrique
Estiú, Guillermina
author2_role author
author
dc.subject.none.fl_str_mv Biología
Química
Pharmacophore
Sodium channel
Antiepileptic
Rational drug design
Quantum chemical molecular design
topic Biología
Química
Pharmacophore
Sodium channel
Antiepileptic
Rational drug design
Quantum chemical molecular design
dc.description.none.fl_txt_mv Fifteen antiepileptic drugs (AED), active against the maximal electroshock seizure test and able to block the neuronal voltage-dependent sodium channel, have been studied by means of a similarity analysis. Structural and electronic, quantum chemically derived characteristics are compared. Rigid analogs are included, because of the flexibility of some structures, in order to discern the conformational requirements associated with these ligands in the moment of the interaction. An inactive compound (ethosuximide) helps in the definition of the structural factors that are important for the activity. We propose a pharmacophore model that, giving an interpretation of the biological activity, allows the design of new AED with a well-defined mechanism of interaction.
Facultad de Ciencias Exactas
Centro de Química Inorgánica
description Fifteen antiepileptic drugs (AED), active against the maximal electroshock seizure test and able to block the neuronal voltage-dependent sodium channel, have been studied by means of a similarity analysis. Structural and electronic, quantum chemically derived characteristics are compared. Rigid analogs are included, because of the flexibility of some structures, in order to discern the conformational requirements associated with these ligands in the moment of the interaction. An inactive compound (ethosuximide) helps in the definition of the structural factors that are important for the activity. We propose a pharmacophore model that, giving an interpretation of the biological activity, allows the design of new AED with a well-defined mechanism of interaction.
publishDate 2001
dc.date.none.fl_str_mv 2001-07
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
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://sedici.unlp.edu.ar/handle/10915/137335
url http://sedici.unlp.edu.ar/handle/10915/137335
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/1610-2940
info:eu-repo/semantics/altIdentifier/issn/0948-5023
info:eu-repo/semantics/altIdentifier/doi/10.1007/s008940100033
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
231-239
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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score 13.070432

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