title: Fragment-based drug discovery using NMR spectroscopy.
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.
authors.affiliation: Department of Biochemistry, Vanderbilt University School of Medicine, 2215 Garland Ave, 607 Light Hall, Nashville, TN 37232-0146, USA.
authors.forename: Mary J
authors.initials: MJ
authors.lastname: Harner
authors.forename: Andreas O
authors.initials: AO
authors.lastname: Frank
authors.forename: Stephen W
authors.initials: SW
authors.lastname: Fesik
mesh_terms: D055808:Drug Discovery; D008024:Ligands; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods; D011485:Protein Binding; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D054852:Small Molecule Libraries
chemical_list: D008024:Ligands; D011506:Proteins; D054852:Small Molecule Libraries