title: Practical aspects of NMR-based fragment discovery.
abstract: Fragment-based drug discovery (FBDD) needs a biophysical assay to complement, or even replace, biochemical screening. NMR is the best choice for this because NMR delivers many different types of data that impacts medicinal chemistry decisions. There are a multitude of different NMR methods which can be employed to these ends. The choice of which method to use will be different for every need. We discuss the different methods, the data they produce, and how they are best utilized in a FBDD setting.
authors.affiliation: Tessera Drug Discovery Consulting, Indianapolis, Indiana 46236, USA. edward_zartler@merck.com
authors.forename: Edward R
authors.initials: ER
authors.lastname: Zartler
authors.forename: Huaping
authors.initials: H
authors.lastname: Mo
mesh_terms: D020650:Combinatorial Chemistry Techniques; D015195:Drug Design; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy / 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