Advances in Nuclear Magnetic Resonance for Drug Discovery

  • Laurel O. SillerudEmail author
  • Richard S. Larson
Part of the Methods in Molecular Biology book series (MIMB, volume 910)


Nuclear Magnetic Resonance (NMR) techniques are widely used in the drug discovery process. The primary feature exploited in these investigations is the large difference in mass between drugs and receptors (usually proteins) and the effect this has on the rotational or translational correlation times for drugs bound to their targets. Many NMR parameters, such as the diffusion coefficient, spin diffusion, nuclear Overhauser enhancement, and transverse and longitudinal relaxation times, are strong functions of either the overall tumbling or translation of molecules in solution. This has led to the development of a wide variety of NMR techniques applicable to the elucidation of protein and nucleic acid structure in solution, the screening of drug candidates for binding to a target of choice, and the study of the conformational changes which occur in a target upon drug binding. High-throughput screening by NMR methods has recently received a boost from the introduction of sophisticated computational techniques for reducing the time needed for the acquisition of the primary NMR data for multidimensional studies.

Key words

Nuclear magnetic resonance Diffusion Nuclear Overhauser enhancement Correlation times Chemical shift Nuclear spin Receptor Drug candidate trNOESY Saturations transfer difference LOGSY Structure–activity relationships TROSY Residual dipolar couplings HSQC Multiquantum 


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Copyright information

© Springer Science+Business Media New York 2012

Authors and Affiliations

  1. 1.Department of Biochemistry and Molecular BiologyUNM HDC, University of New MexicoAlbuquerqueUSA
  2. 2.The University of New MexicoAlbuqerqueUSA

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