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Aroma WaterLOGSY: a fast and sensitive screening tool for drug discovery
Author(s) -
Hu Jun,
Eriksson PerOlof,
Kern Gunther
Publication year - 2010
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.2692
Subject(s) - chemistry , aroma , ligand (biochemistry) , magnetization , nuclear magnetic resonance spectroscopy , pulse sequence , drug discovery , deuterium , sequence (biology) , analytical chemistry (journal) , nuclear magnetic resonance , chromatography , stereochemistry , receptor , atomic physics , magnetic field , biochemistry , physics , food science , quantum mechanics
One‐dimensional NMR spectroscopy has proven to be a powerful technique for screening compound libraries in drug discovery. We report a novel water ligand‐observed gradient spectroscopy (WaterLOGSY) pulse sequence, named Aroma WaterLOGSY, that selectively detects aromatic WaterLOGSY signals from compounds or ligands. In the Aroma WaterLOGSY, water magnetization is untouched after water excitation and utilizes the whole period of the remaining pulse sequence to relax back to the + z direction. Due to the phase cycling design, the water magnetization is allowed to relax for the period of two full scans before it gets inverted again. Therefore, the recycle delay can be significantly shortened. Within similar experimental time, Aroma WaterLOGSY shows approximately two times higher sensitivity than the standard scheme. This method also allows the use of non‐deuterated reagents, thereby accelerating experimental set‐up time for ligand‐binding studies. Copyright © 2010 John Wiley & Sons, Ltd.