Journal of Biomolecular NMR

, Volume 3, Issue 3, pp 261–269

NMR structure-based drug design

  • Stephen W. Fesik

DOI: 10.1007/BF00212513

Cite this article as:
Fesik, S.W. J Biomol NMR (1993) 3: 261. doi:10.1007/BF00212513


NMR is a useful tool for rapidly determining the conformations of receptor-bound ligands and identifying those protions of the ligand in contact with the receptor. In addition, the complete 3D structures of receptors and ligand/receptor complexes can be obtained using recently developed heteronuclear multi-dimensional NMR techniques. This NMR-derived structural information is potentially useful for aiding in the design of improved pharmaceutical agents. Approaches for utilizing the NMR-derived structural information along with the computational tools that facilitate this process are discussed.


Drug design Molecular modeling 3D database searching Heteronuclear multi-dimensional NMR 

Copyright information

© ESCOM Science Publishers B.V 1993

Authors and Affiliations

  • Stephen W. Fesik
    • 1
  1. 1.Pharmaceutical Discovery Division D-47GAP9 Abbott LaboratoriesAbbott ParkUSA

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