Structure-based development of target-specific compound libraries

Andrew J.W. Orry, Ruben A. Abagyan, Claudio N. Cavasotto
2006 Drug Discovery Today  
The success or failure of a small-molecule drug discovery project ultimately lies in the choice of the scaffolds to be screened -chosen from among the many millions of available compounds. Therefore, the methods used to design compound screening libraries are key for the development of new drugs that target a wide range of diseases. Currently, there is a trend towards the construction of receptorstructure-based focused libraries. Recent advances in high-throughput computational docking, NMR and
more » ... crystallography have facilitated the development of these libraries. A structure-based target-specific library can save time and money by reducing the number of compounds to be experimentally tested, also improving the drug discovery success rate by identifying more-potent and specific binders.
doi:10.1016/s1359-6446(05)03717-7 pmid:16580603 fatcat:i6o7xom5lbbrrkfr5zxmiwys44