The authors examined some in silico approaches to identify Akt (protein kinase B) inhibitors. Experimental validation of selected compounds was achieved using a fluorescence-based enzymic assay and a substrate phosphorylation assay involving the protein GSK-3. The authors report on success and failure obtained by using several strategies including FlexX, GOLD, and CSCORE, where the 100-200 top-scoring compds. from a 50,000-compd. library were exptl. tested. This study led to the identification of low micromolar Akt1 inhibitors.

Virtual Docking Approaches to Protein Kinase B Inhibition

FORINO, MARTINO;
2005

Abstract

The authors examined some in silico approaches to identify Akt (protein kinase B) inhibitors. Experimental validation of selected compounds was achieved using a fluorescence-based enzymic assay and a substrate phosphorylation assay involving the protein GSK-3. The authors report on success and failure obtained by using several strategies including FlexX, GOLD, and CSCORE, where the 100-200 top-scoring compds. from a 50,000-compd. library were exptl. tested. This study led to the identification of low micromolar Akt1 inhibitors.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11588/104512
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