Identification of inhibitors of protein kinase B using fragment-based lead discovery.
J Med Chem
; 50(10): 2293-6, 2007 May 17.
Article
em En
| MEDLINE
| ID: mdl-17451234
ABSTRACT
Using fragment-based screening techniques, 5-methyl-4-phenyl-1H-pyrazole (IC50 80 microM) was identified as a novel, low molecular weight inhibitor of protein kinase B (PKB). Herein we describe the rapid elaboration of highly potent and ligand efficient analogues using a fragment growing approach. Iterative structure-based design was supported by protein-ligand structure determinations using a PKA-PKB "chimera" and a final protein-ligand structure of a lead compound in PKBbeta itself.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Pirazóis
/
Modelos Moleculares
/
Proteínas Proto-Oncogênicas c-akt
/
Antineoplásicos
Tipo de estudo:
Diagnostic_studies
Idioma:
En
Revista:
J Med Chem
Assunto da revista:
QUIMICA
Ano de publicação:
2007
Tipo de documento:
Article