Journal of Biomolecular NMR

, Volume 56, Issue 2, pp 65–75

Fragment-based drug discovery using NMR spectroscopy

  • Mary J. Harner
  • Andreas O. Frank
  • Stephen W. Fesik
Perspective

DOI: 10.1007/s10858-013-9740-z

Cite this article as:
Harner, M.J., Frank, A.O. & Fesik, S.W. J Biomol NMR (2013) 56: 65. doi:10.1007/s10858-013-9740-z

Abstract

Nuclear magnetic resonance (NMR) spectroscopy has evolved into a powerful tool for fragment-based drug discovery over the last two decades. While NMR has been traditionally used to elucidate the three-dimensional structures and dynamics of biomacromolecules and their interactions, it can also be a very valuable tool for the reliable identification of small molecules that bind to proteins and for hit-to-lead optimization. Here, we describe the use of NMR spectroscopy as a method for fragment-based drug discovery and how to most effectively utilize this approach for discovering novel therapeutics based on our experience.

Keywords

NMR spectroscopy Fragment-based drug discovery Fragment-based screening Hit identification Fragment libraries 

Copyright information

© Springer Science+Business Media Dordrecht 2013

Authors and Affiliations

  • Mary J. Harner
    • 1
  • Andreas O. Frank
    • 1
    • 2
  • Stephen W. Fesik
    • 1
  1. 1.Department of BiochemistryVanderbilt University School of MedicineNashvilleUSA
  2. 2.Novartis Institutes for BioMedical Research (NIBR), Global Discovery ChemistryEmeryvilleUSA

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