NMR spectroscopy tools for structure-aided drug design.

Steve W Homans

doi:10.1002/anie.200300581

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PubMed · 14705081

NMR spectroscopy tools for structure-aided drug design.

Steve W Homans

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Abstract

Biomolecular NMR spectroscopy has expanded dramatically in recent years and is now a powerful tool for the study of structure, dynamics, and interactions of biomolecules. Previous limitations with respect to molecular size are no longer a primary barrier, and systems as large as 900 kDa were recently studied. NMR spectroscopy is already well-established as an efficient method for ligand screening. A number of recently developed techniques show promise as aids in structure-based drug design, for example, in the rapid determination of global protein folds, the structural characterization of ligand-protein complexes, and the derivation of thermodynamic parameters. An advantage of the method is that all these interactions can be studied in solution--time-consuming crystallization is not necessary. This Review focuses on recent developments in NMR spectroscopy and how they might be of value in removing some of the current "bottlenecks" in structure-based drug discovery.

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Animals Drug Design Humans Ligands Nuclear Magnetic Resonance, Biomolecular Proteins Thermodynamics Journal Article Research Support, Non-U.S. Gov't Review

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Steve W Homans. 2004-01-03. NMR spectroscopy tools for structure-aided drug design.. https://doi.org/10.1002/anie.200300581

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