Artículo
Anticonvulsant activity of ringed enaminones: a QSAR study
Garro Martinez, Juan Ceferino
; Duchowicz, Pablo Román
; Estrada, Mario Rinaldo; Zamarbide, Graciela Nidia; Castro, Eduardo Alberto
Fecha de publicación:
12/2009
Editorial:
Wiley VCH Verlag
Revista:
Qsar & Combinatorial Science
ISSN:
1611-020X
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
The formalism of the QSAR Theory is employed to establish mathematical relationships that link the molecular structure of ringed enaminones to their observed antiepileptic activity. The design of predictive linear regression models, solely based on the available experimental information, involved the simultaneous analysis of 1312 theoretical descriptors calculated with Dragon software. This QSAR study that is based both on classic antiepileptics and second-generation anticonvulsant drugs, including compounds of the enaminone type, allowed the proposal of novel ringed enaminone derivatives as possible antiepileptic agents, posing a similar or even better predicted biological activity when compared to other commonly used drugs.
Archivos asociados
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Identificadores
Colecciones
Articulos(CCT - SAN LUIS)
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - SAN LUIS
Articulos de CTRO.CIENTIFICO TECNOL.CONICET - SAN LUIS
Articulos(INIFTA)
Articulos de INST.DE INV.FISICOQUIMICAS TEORICAS Y APLIC.
Articulos de INST.DE INV.FISICOQUIMICAS TEORICAS Y APLIC.
Citación
Garro Martinez, Juan Ceferino; Duchowicz, Pablo Román; Estrada, Mario Rinaldo; Zamarbide, Graciela Nidia; Castro, Eduardo Alberto; Anticonvulsant activity of ringed enaminones: a QSAR study; Wiley VCH Verlag; Qsar & Combinatorial Science; 28; 11-12; 12-2009; 1376-1385
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