Fragment based discovery of a novel and selective PI3 kinase inhibitor

Hughes, Samantha J. and Millan, David S. and Kilty, Iain C. and Lewthwaite, Russell A. and Mathias, John P. and O’Reilly, Mark A. and Pannifer, Andrew D. and Phelan, Anne and Stühmeier, Frank and Baldock, Darren A. and Brown, David G. (2011) Fragment based discovery of a novel and selective PI3 kinase inhibitor. Bioorganic & Medicinal Chemistry Letters, 21 (21). pp. 6586-6590. ISSN 0960-894X. (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)

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We report the use of fragment screening and fragment based drug design to develop a PI3γ 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 PI3γ kinase inhibitor with good metabolic stability that was useful as a preclinical tool compound.

Item Type: Article
Uncontrolled keywords: Fragment; Kinase
Subjects: Q Science
Divisions: Faculties > Science Technology and Medical Studies > School of Biosciences
Depositing User: Sue Davies
Date Deposited: 08 Oct 2012 10:51
Last Modified: 16 Jul 2014 09:29
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