NMR structure-based drug design.

Fesik SW
J Biomol NMR. 1993 3 (3): 261-9

PMID: 7689377 · DOI:10.1007/bf00212513

NMR is a useful tool for rapidly determining the conformations of receptor-bound ligands and identifying those portions 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.

MeSH Terms (12)

Carrier Proteins Databases, Bibliographic Drug Design HIV Protease Inhibitors Ligands Magnetic Resonance Spectroscopy Models, Molecular Protein Conformation Receptors, Cell Surface Structure-Activity Relationship Tacrolimus Tacrolimus Binding Proteins

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