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) |
|---|---|
| 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
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Cite this
Forino, M., Jung, D., Easton, J. B., Houghton, P. J., & Pellecchia, M. (2005). Virtual docking approaches to protein kinase B inhibition. Journal of Medicinal Chemistry, 48(7), 2278-2281. https://doi.org/10.1021/jm048962u