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Curr Opin Chem Biol. 2006 Aug;10(4):352-6. Epub 2006 Jun 21.

How good is your screening library?

Author information

1
Department of Pharmaceutical Chemistry, University of California San Francisco, 1700 4th St, San Francisco, CA 94143-2550, USA. jji@cgl.ucsf.edu

Abstract

Efficient library design is an ongoing challenge for investigators seeking novel ligands for proteins, whether for drug discovery or chemical biology. Strategies that add neglected chemistry or exclude unproductive compounds are two dominant recent themes, as is a growing awareness of molecular complexity and its implications. The choice of how complex molecules in screening libraries should be often amounts to how big they should be. Small, simple molecules have lower affinities and must be screened at high concentration, but they will also have higher hit rates. Larger compounds, on the other hand, will often more closely resemble final drugs, but because they are more highly functionalized and specific, they will have much lower hit rates. The best general-purpose screening libraries may well be those of intermediate complexity that are free of artifact-causing nuisance compounds.

PMID:
16797220
DOI:
10.1016/j.cbpa.2006.06.003
[Indexed for MEDLINE]

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