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Drug Discov Today. 2002 May 1;7(9):522-7.

Structure-based screening of low-affinity compounds.

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Astex Technology, 250 Cambridge Science Park, Cambridge, UK CB4 0WE.


Conventional bioassay-based screening remains a mainstream approach for lead discovery. However, its limitations have meant that other, more biophysical methods, such as X-ray crystallography and NMR, are now being developed as lead discovery tools. These methods are particularly effective at detecting the binding of low affinity, low molecular weight compounds and transforming them into novel potent leads using structure-guided chemistry. Here, we describe some of the technologies and approaches that are being developed in structure-based screening using X-ray crystallography, which promise to have a major impact on lead discovery.

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