Modelling studies of the active site of human sorbitol dehydrogenase: an approach to structure-based inhibitor design of the enzyme.
Bioorg Med Chem Lett
; 11(24): 3133-6, 2001 Dec 17.
Article
en En
| MEDLINE
| ID: mdl-11720859
ABSTRACT
The program GRID was used to design novel potential inhibitors of human sorbitol dehydrogenase based on a model of the holoenzyme in complex with the inhibitor WAY135 706. Replacement of the methyl hydroxyl group of the inhibitor with methyl phosphate and methyl carboxylate functional groups increased the net binding energy of the complex by 2.0- and 1.7-fold, respectively. This study may be useful in the development of potent and more specific inhibitors of the enzyme.
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Banco de datos:
MEDLINE
Asunto principal:
Piperazinas
/
Pirimidinas
/
Inhibidores Enzimáticos
/
L-Iditol 2-Deshidrogenasa
Límite:
Humans
Idioma:
En
Revista:
Bioorg Med Chem Lett
Asunto de la revista:
BIOQUIMICA
/
QUIMICA
Año:
2001
Tipo del documento:
Article
País de afiliación:
Australia