Abstract
We examined some in silico approaches to identify Akt (protein kinase B) inhibitors. Experimental validation of selected compounds was achieved using a fluorescence-based enzymatic assay and a substrate phosphorylation assay involving the protein GSK-3. We report on success and failure obtained by using several strategies including FlexX, GOLD, and CSCORE, where the 100-200 top-scoring compounds from a 50000-compound library were experimentally tested. This study led to the identification of low micromolar Akt1 inhibitors.
Original language | English (US) |
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Pages (from-to) | 2278-2281 |
Number of pages | 4 |
Journal | Journal of Medicinal Chemistry |
Volume | 48 |
Issue number | 7 |
DOIs | |
State | Published - Apr 7 2005 |
Externally published | Yes |
ASJC Scopus subject areas
- Molecular Medicine
- Drug Discovery