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NMR techniques for characterization of ligand binding: Utility for lead generation and optimization in drug discovery
Author(s) -
Moore Jonathan M.
Publication year - 1999
Publication title -
peptide science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/(sici)1097-0282(1999)51:3<221::aid-bip5>3.0.co;2-9
Subject(s) - drug discovery , chemistry , lead (geology) , ligand (biochemistry) , computational biology , small molecule , identification (biology) , combinatorial chemistry , lead compound , characterization (materials science) , nuclear magnetic resonance spectroscopy , drug , drug development , protein ligand , nanotechnology , stereochemistry , biochemistry , pharmacology , receptor , in vitro , biology , materials science , paleontology , botany
Over the last ten years, nmr spectroscopy has evolved into an important discipline in drug discovery. Initially, nmr was most useful as a technique to provide structural information regarding protein drug targets and target–ligand interactions. More recently, it has been shown that nmr may be used as an alternative method for identification of small molecule ligands that bind to protein drug targets. High throughput implementation of these experiments to screen small molecule libraries may lead to identification of potent and novel lead compounds. In this review, we will use examples from our own research to illustrate how nmr experiments to characterize ligand binding may be used to both screen for novel compounds during the process of lead generation, as well as provide structural information useful for lead optimization during the latter stages of a discovery program. © 1999 John Wiley & Sons, Inc. Biopoly 51: 221–243, 1999