This overview presents the Structure-Based Drug Design, with a focus on what can be accomplished and its long-term potential. While database mining has repeatedly been able to identify compounds in the Available Chemical Directory (ACD) that inhibit enzymes and allosteric systems in the low micromolar range, it is only with extensive chemical efforts that nanomolar inhibitors have been developed. Merging combinatorial chemistry strategies with structure-based design principles has had a major impact on our ability to identify sub-nanomolar inhibitors with the selectivity and pharmaceutical properties to be plausible preclinical candidates.
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