Skip to main content

Ligand Screening Using NMR

  • Protocol
  • First Online:

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1140))

Abstract

NMR has proven to be an invaluable technique for identifying and characterizing ligand interactions with biomolecules. NMR-based detection of ligand binding to protein targets is described. Specifically, the use of the WaterLOGSY NMR experiment to screen mixtures of compounds from a fragment library for binding to influenza H5 hemagglutinin is detailed.

This is a preview of subscription content, log in via an institution.

Buying options

Protocol
USD   49.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   89.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   119.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD   169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

Springer Nature is developing a new tool to find and evaluate Protocols. Learn more

References

  1. Maurer T (2011) Advancing fragment binders to lead-like compounds using ligand and protein-based NMR spectroscopy. Methods Enzymol 493:469–485

    Article  CAS  PubMed  Google Scholar 

  2. Shuker SB, Hajduk PJ, Meadows RP, Fesik SW (1996) Discovering high-affinity ligands for proteins: SAR by NMR. Science 274:1531–1534

    Article  CAS  PubMed  Google Scholar 

  3. Dalvit C, Fogliatto G, Stewart A, Veronesi M, Stockman B (2001) WaterLOGSY as a method for primary NMR screening: practical aspects and range of applicability. J Biomol NMR 21:349–359

    Article  CAS  PubMed  Google Scholar 

  4. Nomme J, Fanning AS, Caffrey M, Lye MF, Anderson JM, Lavie A (2011) The Src homology 3 domain is required for junctional adhesion molecule binding to the third PDZ domain of the scaffolding protein ZO-1. J Biol Chem 16:43352–43360

    Article  Google Scholar 

  5. Meyer B, Peters T (2003) NMR spectroscopy techniques for screening and identifying ligand binding to protein receptors. Angewantde Chemie 42:864–890

    Article  CAS  Google Scholar 

  6. Celigoy J, Ramirez B, Tao L, Rong L, Yan L, Feng YR, Quinnan GV, Broder CC, Caffrey M (2011) Probing the HIV gp120 envelope glycoprotein conformation by NMR. J Biol Chem 286:23975–23981

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  7. McCullough C, Wang M, Rong L, Caffrey M (2012) Characterization of influenza hemagglutinin interactions with receptor by NMR. PLoS One 7:e33958

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  8. Post CB (2003) Exchange-transferred NOE spectroscopy and bound ligand structure determination. Curr Opin Struct Biol 13:581–588

    Article  CAS  PubMed  Google Scholar 

  9. Petros AM, Fesik SW (1994) Nuclear magnetic resonance methods for studying protein–ligand complexes. Methods Enzymol 239:717–739

    Article  CAS  PubMed  Google Scholar 

  10. Nienaber V (2010) Start small and stay small. Minimizing attrition in the clinic with a focus on CNS therapeutics. Curr Top Med Chem 9:1688–1704

    Article  Google Scholar 

  11. Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A (1995) NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR 6:277–293

    Article  CAS  PubMed  Google Scholar 

  12. Assadi-Porter FM, Tonelli M, Maillet EL, Markley JL, Max M (2010) Interactions between the human sweet-sensing T1R2-T1R3 receptor and sweeteners detected by saturation transfer difference NMR spectroscopy. Biochim Biophys Acta 1798:82–86

    Article  CAS  PubMed  Google Scholar 

  13. Angulo J, Nieto PM (2011) STD-NMR: application to transient interactions between biomolecules-a quantitative approach. Eur Biophys J 40:1357–1369

    Article  CAS  PubMed  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Michael Caffrey .

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2014 Springer Science+Business Media New York

About this protocol

Cite this protocol

Ramirez, B.E., Antanasijevic, A., Caffrey, M. (2014). Ligand Screening Using NMR. In: Anderson, W.F. (eds) Structural Genomics and Drug Discovery. Methods in Molecular Biology, vol 1140. Humana, New York, NY. https://doi.org/10.1007/978-1-4939-0354-2_22

Download citation

  • DOI: https://doi.org/10.1007/978-1-4939-0354-2_22

  • Published:

  • Publisher Name: Humana, New York, NY

  • Print ISBN: 978-1-4939-0353-5

  • Online ISBN: 978-1-4939-0354-2

  • eBook Packages: Springer Protocols

Publish with us

Policies and ethics