Discovery of an Aurora kinase inhibitor through site-specific dynamic combinatorial chemistry.
Article Details
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Cancilla MT, He MM, Viswanathan N, Simmons RL, Taylor M, Fung AD, Cao K, Erlanson DA
Discovery of an Aurora kinase inhibitor through site-specific dynamic combinatorial chemistry.
Bioorg Med Chem Lett. 2008 Jul 15;18(14):3978-81. doi: 10.1016/j.bmcl.2008.06.011. Epub 2008 Jun 10.
- PubMed ID
- 18579375 [ View in PubMed]
- Abstract
We demonstrate a fragment-based lead discovery method that combines site-directed ligand discovery with dynamic combinatorial chemistry. Our technique targets dynamic combinatorial screening to a specified region of a protein by using reversible disulfide chemistry. We have used this technology to rapidly identify inhibitors of the drug target Aurora A that span the purine-binding site and the adaptive pocket of the kinase. The binding mode of a noncovalent inhibitor has been further characterized through crystallography.
DrugBank Data that Cites this Article
- Binding Properties
Drug Target Property Measurement pH Temperature (°C) N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide Aurora kinase A IC 50 (nM) 2900 N/A N/A Details