A fresh look at pharmaceutical screening library design.
Most current methods for the design of pharmaceutical screening libraries centre around compound diversity. We present arguments for a different approach, involving a fixed number of analogs around a set of medicinally relevant scaffolds. Most current approaches to screening library design emphasize wide coverage of chemical space at the expense of poor local representation. We propose constructing uniform libraries around fixed ring scaffolds with "adequate" representation so as not to miss potentially active series.
Nilakantan
Ramaswamy
R
Chemical & Screening Sciences, Wyeth Research, Pearl River, NY 10965, USA. nilakan@wyeth.com
Nunn
David S
DS
D020650:Combinatorial Chemistry Techniques / Q000379:methods*; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D013678:Technology, Pharmaceutical / Q000379:methods