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...

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Bibliographic Details
Published in:Drug discovery today 2003-08, Vol.8 (15), p.668-672
Main Authors: Nilakantan, Ramaswamy, Nunn, David S.
Format: Article
Language:English
Subjects:
Biological and medical sciences
Combinatorial
Combinatorial Chemistry Techniques - methods
Design
Diversity
Drug Evaluation, Preclinical - methods
High-throughput screening
Library
Medical sciences
Ring scaffold
Technology, Pharmaceutical - methods
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Summary: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.
ISSN:1359-6446
1878-5832
DOI:10.1016/S1359-6446(03)02793-4