期刊
EXPERT OPINION ON DRUG DISCOVERY
卷 2, 期 8, 页码 1103-1114出版社
TAYLOR & FRANCIS LTD
DOI: 10.1517/17460441.2.8.1103
关键词
DSC; ITC; ligand binding; structure-based drug design; thermodynamics
Modern drug discovery usually involves the rapid screening of large numbers of compounds, either individually or in resolvable mixtures. These compounds may be complex and lead-like or may be small fragments representing optimal scaffolds. Several methods are suitable for detecting binding interactions based on a wide range of different physical platforms. However, the use of thermodynamic measurements has a role to play both in the high-throughput identification of binders and also in the fundamental understanding of molecular interaction, which is central to rational drug design. This review describes the benefits and drawbacks of using thermodynamic characterisation of binding interactions at various stages in the rational drug design process and highlights future opportunities for advances in instrumentation and methodology.
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