Serendipity meets precision: The integration of structure-based drug design and combinatorial chemistry for efficient drug discovery

被引:57
作者
Salemme, FR
Spurlino, J
Bone, R
机构
[1] 3-Dimensional Pharmaceuticals, Inc., Eagleview Corporate Center, Exton, PA 19341
关键词
D O I
10.1016/S0969-2126(97)00189-5
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Structure-based drug design uses three-dimensional visualization of drug candidates bound to a target receptor to direct structural modifications that increase potency, This widely used approach is limited by the difficulty of accurately predicting drug-binding affinities from three-dimensional structures. The integration of structure-based drug design with combinatorial chemistry can overcome this limitation by providing an empirical understanding of drug-binding energies. This integration allows compound synthesis and evaluation in parallel, and also helps assure that the compounds produced have properties consistent with good bioavailability and safety.
引用
收藏
页码:319 / 324
页数:6
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