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  • Title: Structure-based generation of viable leads from small combinatorial libraries.
    Author: Laird ER, Blake JF.
    Journal: Curr Opin Drug Discov Devel; 2004 May; 7(3):354-9. PubMed ID: 15216940.
    Abstract:
    Parallel synthesis and structure-aided design have begun to converge in the process of drug discovery. Virtual screening using X-ray crystal structures of therapeutic targets to front-load a high-throughput screen or to establish a tractable collection for lower throughput assays has become a standard practice in many lead generation settings. The application of similar techniques for increasing the likelihood of including active compounds in a focused combinatorial library is a natural progression that is beginning to be recognized. In this review, we will cover recent reports of small, focused libraries designed for specific therapeutic targets, and for which X-ray crystallographic data is available.
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