Chem Biol Drug Des. 2006 Jun;67(6):385-94.

A kinase-focused compound collection: compilation and screening strategy.

Sun D, Chuaqui C, Deng Z, Bowes S, Chin D, Singh J, Cullen P, Hankins G, Lee WC, Donnelly J, Friedman J, Josiah S.

Source

Biogen Idec, 14 Cambridge Center, Cambridge, MA 02142, USA. dongyu_sun@merck.com

Abstract

Lead identification by high-throughput screening of large compound libraries has been supplemented with virtual screening and focused compound libraries. To complement existing approaches for lead identification at Biogen Idec, a kinase-focused compound collection was designed, developed and validated. Two strategies were adopted to populate the compound collection: a ligand shape-based virtual screening and a receptor-based approach (structural interaction fingerprint). Compounds selected with the two approaches were cherry-picked from an existing high-throughput screening compound library, ordered from suppliers and supplemented with specific medicinal compounds from internal programs. Promising hits and leads have been generated from the kinase-focused compound collection against multiple kinase targets. The principle of the collection design and screening strategy was validated and the use of the kinase-focused compound collection for lead identification has been added to existing strategies.

PMID:: 16882313; [PubMed - indexed for MEDLINE]

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Cited by 2 PubMed Central articles

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