Hughes, Samantha J., Millan, David S., Kilty, Iain C., Lewthwaite, Russell A., Mathias, John P., O’Reilly, Mark A., Pannifer, Andrew D., Phelan, Anne, Stühmeier, Frank, Baldock, Darren A., and others. (2011) Fragment based discovery of a novel and selective PI3 kinase inhibitor. Bioorganic & Medicinal Chemistry Letters, 21 (21). pp. 6586-6590. ISSN 0960-894X. (doi:10.1016/j.bmcl.2011.07.117) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:31350)
| The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. | |
| Official URL: http://dx.doi.org/10.1016/j.bmcl.2011.07.117 |
Abstract
We report the use of fragment screening and fragment based drug design to develop a PI3? kinase fragment hit into a lead. Initial fragment hits were discovered by high concentration biochemical screening, followed by a round of virtual screening to identify additional ligand efficient fragments. These were developed into potent and ligand efficient lead compounds using structure guided fragment growing and merging strategies. This led to a potent, selective, and cell permeable PI3? kinase inhibitor with good metabolic stability that was useful as a preclinical tool compound.
| Item Type: | Article |
|---|---|
| DOI/Identification number: | 10.1016/j.bmcl.2011.07.117 |
| Uncontrolled keywords: | Fragment; Kinase |
| Subjects: | Q Science |
| Divisions: | Divisions > Division of Natural Sciences > Biosciences |
| Depositing User: | Susan Davies |
| Date Deposited: | 08 Oct 2012 10:51 UTC |
| Last Modified: | 05 Nov 2024 10:13 UTC |
| Resource URI: | https://kar.kent.ac.uk/id/eprint/31350 (The current URI for this page, for reference purposes) |
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