Literature DB >> 15288248

Using NMR for ligand discovery and optimization.

Hugo O Villar1, Jiangli Yan, Mark R Hansen.   

Abstract

Several recent technology-driven advances in the area of NMR have rekindled an interest in the application of the technology to problems in drug discovery and development. A unique aspect of NMR is that it has applicability in broadly different areas of the drug discovery and optimization processes. NMR techniques for screening aimed at the discovery of novel ligands or low molecular weight structures for fragment-based build up procedures are being applied commonly in the industry. Application of NMR in structure-guided drug design and metabonomics are also becoming routine. We present an overview of some of the most recent NMR developments in these areas.

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Year:  2004        PMID: 15288248     DOI: 10.1016/j.cbpa.2004.05.002

Source DB:  PubMed          Journal:  Curr Opin Chem Biol        ISSN: 1367-5931            Impact factor:   8.822


  4 in total

1.  Determining the optimal size of small molecule mixtures for high throughput NMR screening.

Authors:  Kelly A Mercier; Robert Powers
Journal:  J Biomol NMR       Date:  2005-03       Impact factor: 2.835

Review 2.  Perspectives on NMR in drug discovery: a technique comes of age.

Authors:  Maurizio Pellecchia; Ivano Bertini; David Cowburn; Claudio Dalvit; Ernest Giralt; Wolfgang Jahnke; Thomas L James; Steve W Homans; Horst Kessler; Claudio Luchinat; Bernd Meyer; Hartmut Oschkinat; Jeff Peng; Harald Schwalbe; Gregg Siegal
Journal:  Nat Rev Drug Discov       Date:  2008-09       Impact factor: 84.694

3.  Estimating protein-ligand binding affinity using high-throughput screening by NMR.

Authors:  Matthew D Shortridge; David S Hage; Gerard S Harbison; Robert Powers
Journal:  J Comb Chem       Date:  2008-10-03

4.  Knowledge-based fragment binding prediction.

Authors:  Grace W Tang; Russ B Altman
Journal:  PLoS Comput Biol       Date:  2014-04-24       Impact factor: 4.475

  4 in total

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