Discovery of non-glycoside sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors by ligand-based virtual screening.
J Med Chem
; 53(24): 8770-4, 2010 Dec 23.
Article
em En
| MEDLINE
| ID: mdl-21090651
A ligand-based virtual screening strategy (a combination of pharmacophore model generation, shape-based scoring, and structure clustering analysis) was developed to discover novel SGLT2 inhibitors. The best pharmacophore model, generated from eight glycoside inhibitors, was utilized to virtually screen three chemical databases that led to the identification of three non-glycoside SGLT2 inhibitors. This is the first report of the generation of a pharmacophore model from glycosides that has then been used to discover novel non-glycosides hits.
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Modelos Moleculares
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Relação Quantitativa Estrutura-Atividade
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Inibidores do Transportador 2 de Sódio-Glicose
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Ligantes
Tipo de estudo:
Diagnostic_studies
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Prognostic_studies
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Screening_studies
Limite:
Animals
Idioma:
En
Ano de publicação:
2010
Tipo de documento:
Article