title: REDOR NMR for drug discovery.
abstract: Rotational-echo double-resonance (REDOR) NMR is a powerful and versatile solid-state NMR measurement that has been recruited to elucidate drug modes of action and to drive the design of new therapeutics. REDOR has been implemented to examine composition, structure, and dynamics in diverse macromolecular and whole-cell systems, including taxol-bound microtubules, enzyme-cofactor-inhibitor ternary complexes, and antibiotic-whole-cell complexes. The REDOR approach involves the integrated design of specific isotopic labeling strategies and the selection of appropriate REDOR experiments. By way of example, this digest illustrates the versatility of the REDOR approach, with an emphasis on the practical considerations of experimental design and data interpretation.
authors.affiliation: Department of Chemistry, Stanford University, Stanford, CA 94305, USA. Electronic address: cegelski@stanford.edu.
authors.forename: Lynette
authors.initials: L
authors.lastname: Cegelski
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry / Q000494:pharmacology; D001665:Binding Sites; D055808:Drug Discovery / Q000379:methods*; D006801:Humans; D008870:Microtubules / Q000378:metabolism; D008958:Models, Molecular; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D017239:Paclitaxel / Q000737:chemistry / Q000494:pharmacology; D013203:Staphylococcal Infections / Q000188:drug therapy; D013211:Staphylococcus aureus / Q000187:drug effects; D050257:Tubulin Modulators / Q000737:chemistry / Q000494:pharmacology; D014640:Vancomycin / Q000737:chemistry / Q000494:pharmacology
chemical_list: D000900:Anti-Bacterial Agents; D050257:Tubulin Modulators; D014640:Vancomycin; D017239:Paclitaxel
keywords: Drug discovery; REDOR; Solid-state NMR; Taxol; Vancomycin; Whole-cell NMR
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