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PubMed · 7689377

NMR structure-based drug design.

S W Fesik
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Abstract

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.

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Carrier ProteinsDatabases, BibliographicDrug DesignHIV Protease InhibitorsLigandsMagnetic Resonance SpectroscopyModels, MolecularProtein ConformationReceptors, Cell SurfaceStructure-Activity RelationshipTacrolimusTacrolimus Binding ProteinsComparative StudyJournal Article

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S W Fesik. 1993. NMR structure-based drug design.. https://doi.org/10.1007/bf00212513

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