Construction and application of pharmacophore model of benzoylurea derivatives as beta-tubulin inhibitors / 药学学报
Acta Pharmaceutica Sinica
;
(12): 462-466, 2010.
Artigo
em Chinês
| WPRIM
| ID: wpr-353375
ABSTRACT
Ten pharmacophore models of beta-tubulin inhibitors were established from the training set of seventeen beta-tubulin inhibitors (two categories) with comformer analysis by using the Catalyst software. The optimal pharmacophore model with two hydrophobic units and two hydrogen bond acceptor units were confirmed (RMS = 0.43, Correl = 0.98, Weight = 2.06, Config = 15.97). This pharmacophore model is able to predict the activity of known beta-tubulin inhibitors and can be further used to identify structurally diverse compounds with higher activity.
Texto completo:
DisponíveL
Índice:
WPRIM (Pacífico Ocidental)
Assunto principal:
Relação Estrutura-Atividade
/
Ureia
/
Benzamidas
/
Software
/
Desenho de Fármacos
/
Estrutura Molecular
/
Modelos Moleculares
/
Química
/
Desenho Assistido por Computador
/
Moduladores de Tubulina
Tipo de estudo:
Estudo prognóstico
Idioma:
Chinês
Revista:
Acta Pharmaceutica Sinica
Ano de publicação:
2010
Tipo de documento:
Artigo
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