Development of pharmacophoric model of condensed pyridine and pyrimidine analogs as hydroxymethyl glutaryl coenzyme A reductase inhibitors.
Indian J Biochem Biophys
;
2006 Feb; 43(1): 32-6
Artículo
en Inglés
| IMSEAR
| ID: sea-28533
ABSTRACT
Quantitative structure-activity relationship (QSAR) has been established on a series of thirty-eight compounds of four different sets of condensed pyridine and pyrimidine analogs, for their hydroxymethyl glutaryl coenzyme (HMG-CoA) reductase inhibitor activity, in order to understand the essential structural requirement for binding with receptor, in terms of common biophoric and secondary sites employing APEX-3D software. Among several 3D pharmacophoric models with different sizes and arrangements, one model was selected based on r2 = 0.8, chance<0.001, match equivalent to 0.38 and all the 38 compounds were considered. The results suggest that hydrophobicity, hydrogen acceptor and optimum steric refractivity play a dominant role in the inhibition of HMG-CoA reductase. The information obtained from the present study can be used to design and predict more potent molecules as HMG-CoA reductase inhibitors, prior to their synthesis.
Texto completo:
Disponible
Índice:
IMSEAR (Asia Sudoriental)
Asunto principal:
Piridinas
/
Pirimidinas
/
Diseño de Fármacos
/
Inhibidores de Hidroximetilglutaril-CoA Reductasas
/
Relación Estructura-Actividad Cuantitativa
/
Modelos Químicos
Tipo de estudio:
Estudio pronóstico
Idioma:
Inglés
Revista:
Indian J Biochem Biophys
Año:
2006
Tipo del documento:
Artículo
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