Journal
JOURNAL OF BIOMOLECULAR NMR
Volume 21, Issue 4, Pages 349-359Publisher
SPRINGER
DOI: 10.1023/A:1013302231549
Keywords
dissociation binding constant; drug design; magnetization transfer; NMR screening; protein-ligand interactions; Water-Ligand Observed via Gradient SpectroscopY; WaterLOGSY
Categories
Ask authors/readers for more resources
WaterLOGSY represents a powerful method for primary NMR screening in the identification of compounds interacting with macromolecules, including proteins and DNA or RNA fragments. Several relay pathways are used constructively in the experiment for transferring bulk water magnetization to the ligand. The method is particularly useful for the identification of novel scaffolds of micromolar affinity that can be then optimized using directed screening, combinatorial chemistry, medicinal chemistry and structure-based drug design. The practical aspects and range of applicability of the WaterLOGSY experiment are analyzed in detail here. Competition binding and titration WaterLOGSY permit, after proper correction, the evaluation of the dissociation binding constant. The high sensitivity of the technique in combination with the easy deconvolution of the mixtures for the identification of the active components, significantly reduces the amount of material and time needed for the NMR screening process.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available