Structure-based combinatorial library design: methodologies and applications.

Mary Pat Beavers; Xin Chen

doi:10.1016/s1093-3263(01)00147-4

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Structure-based combinatorial library design: methodologies and applications.

Mary Pat Beavers·Xin Chen

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Abstract

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.

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Binding Sites Chemistry, Pharmaceutical Combinatorial Chemistry Techniques Drug Design Peptide Library Protease Inhibitors Software Structure-Activity Relationship Journal Article

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Mary Pat Beavers, Xin Chen. 2002. Structure-based combinatorial library design: methodologies and applications.. https://doi.org/10.1016/s1093-3263(01)00147-4

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