| Kinase Focused Library: Design, Validation and Application |
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Presentation: P01002 Session: Cheminformatics, Library Design and Virtual HTS - Poster SessionDongyu Sun, Claudio Chuaqui, Zhan Deng, Scott Bowes, Patrick Cullen and Serene Josiah, Biogen Idec Presenting Author: Dongyu Sun, BiogenIdec - USA Lead identification by HTS of large compound libraries (>1,000,000) has been supplemented with focused compound libraries or sequential screening (relatively small compound collection). To complement existing approaches to lead identification at Biogen Idec, a Kinase Focused Library (KFL) was considered, developed and validated. Two strategies were adopted to populate the compound collection: Shape/Ligand based design and Structural Interaction Fingerprint (SIFt). Compounds were cherry-picked from an existing HTS compound library and supplemented with specific compounds from in-house projects. Promising hits and leads have been generated from the KFL against an in-house kinase target. The principle of the library design was validated and a new approach of in-house lead identification has been added to existing strategies. |