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Fragment based discovery of a novel and selective PI3 kinase inhibitor

✍ Scribed by Samantha J. Hughes; David S. Millan; Iain C. Kilty; Russell A. Lewthwaite; John P. Mathias; Mark A. O’Reilly; Andrew Pannifer; Anne Phelan; Frank Stühmeier; Darren A. Baldock; David G. Brown

Book ID
113496036
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
658 KB
Volume
21
Category
Article
ISSN
0960-894X

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✍ Fabrizio Giordanetto; Bengt Kull; Anita Dellsén 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 1002 KB

The discovery of ligand efficient and lipophilicity efficient fragment inhibitors of class 1 phosphatidylinositide 3-kinases (PI3K) is reported. A fragment version of the AstraZeneca compound bank was docked to a homology model of the PI3K p110β isoform. Interaction-based scoring of the predicted bi