NMR-based screening

NMR-based ligand screening is now an established field and the recent year has seen a number of new developments in the methodology. Several methods have been described that exploit the benefits of NMR spectroscopy. Dalvit et 

High-throughput ligand-based proton NMR screening performed in the pres- 

Several reports also describe the application of NMR-based ligand screen to specific targets. These include the application of NMR SHAPES screening to an RNA target STD-NMR monitoring of small molecular binding to human factor Xa and human IgG kappa-Fab  

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Klages, J., Coles, M., Kessler, H. NMR-based screening a powerful tool in fragment-based drug discovery. Mol. Biosyst. 2006, 2, 319-331. 

Designing Novel Kinase Inhibitors from the NMR-based Screening of Fragments 27... 

DESIGNING NOVEL KINASE INHIBITORS FROM THE NMR-BASED SCREENING... 

Klages J, Coles M, Kessler H (2006) In Bartlett PA, Etzeroth M (eds) NMR-based screening in exploiting chemical diversity for drug discovery, vol 12. RSC, Cambridge, UK, p 263... 

Klages J, Coles M, Kessler H (2006) NMR-based screening. RSC, Cambridge, UK... 

One limitation of NMR-based screening is the requirement that large protein quantities should yield concentrations giving reasonable durations of NMR experiments and reasonable throughput. Another limitation arises from low solubility (pM) of nondeveloped lead structures. Hydrophobic ligands are often required to enable binding to a hydrophobic... 

A large number of NMR-based screening methods have been developed to identify bioactive ligands. They include methods based on, e.g., trNOESY [1],... 

Hajduk, P.J., Bures, M., Praestgaard, )., and Fesik, S.W. Privileged molecules for protein binding identified from NMR-based screening./. Med. Chem. 

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