期刊
DRUG DISCOVERY TODAY
卷 11, 期 5-6, 页码 261-266出版社
ELSEVIER SCI LTD
DOI: 10.1016/S1359-6446(05)03717-7
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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 receptor-structure-based focused libraries. Recent advances in high-throughput computational docking, NMR and 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.
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