Quantitative structure-activity relationship to predict differential inhibition of aldose reductase by flavonoid compounds.
Bioorg Med Chem
; 13(9): 3269-77, 2005 May 02.
Article
em En
| MEDLINE
| ID: mdl-15809162
Inhibitory activity against aldose reductase enzyme of flavonoid derivatives were modelled using 11 kinds of molecular descriptors from Dragon software. Model with four Galvez Charge Indices described 67% of data variance and overtaken other models using the same number of variables. Galvez indices showed to contain important information on the relationship between the inhibitor structures and its activity by describing the molecular topology and charge transfer through the molecule. In addition, artificial neural networks were trained using charge indices from the linear models but the obtaining networks overfitted the data having low predictive power.
Buscar no Google
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Flavonoides
/
Aldeído Redutase
/
Relação Quantitativa Estrutura-Atividade
Tipo de estudo:
Diagnostic_studies
/
Prognostic_studies
/
Risk_factors_studies
Idioma:
En
Revista:
Bioorg Med Chem
Assunto da revista:
BIOQUIMICA
/
QUIMICA
Ano de publicação:
2005
Tipo de documento:
Article
País de afiliação:
Cuba
País de publicação:
Reino Unido