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Structure-based combinatorial library design: methodologies and applications

2002; Elsevier BV; Volume: 20; Issue: 6 Linguagem: Inglês

10.1016/s1093-3263(01)00147-4

1873-4243

Mary Pat Beavers, Xin Chen,

Monoclonal and Polyclonal Antibodies Research

Rational design of small focused libraries that are biased toward specific therapeutic targets is currently at the forefront of combinatorial library design. Various structure-based design strategies can be implemented in focused library design when the 3D structure of the target is available through X-ray or NMR determination. This review discusses the major methods and programs specifically developed for the purpose of designing combinatorial libraries under the constraint of the binding site of a biological target, with emphasis on their advantages and disadvantages. Examples of the successful application of these methodologies are highlighted, demonstrating their performances within the practical drug discovery process.