2002
DOI: 10.1021/jm011122k
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NMR-Based Screening with Competition Water−Ligand Observed via Gradient Spectroscopy Experiments:  Detection of High-Affinity Ligands

Abstract: Water-ligand observed via gradient spectroscopy (WaterLOGSY) represents a powerful method for primary NMR screening in the identification of compounds interacting with macromolecules, including proteins and DNA or RNA fragments. The method is useful for the detection of compounds binding to a receptor with binding affinity in the micromolar range. The Achille's heel of the method, as with all the techniques that detect the ligand resonances, is its inability to identify strong ligands with slow dissociation ra… Show more

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Cited by 112 publications
(109 citation statements)
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“…In addition, an approximate value or a lower limit of the dissociation constant of the potential ligand can be derived from the reduction of the signal intensity of the STD indicator. 22,26 This is demonstrated next on the human serum albumin (HSA) model system. It is known that drugs such as diazepam and the endogenous amino acid tryptophan bind to site II of HSA.…”
Section: Resultsmentioning
confidence: 99%
See 2 more Smart Citations
“…In addition, an approximate value or a lower limit of the dissociation constant of the potential ligand can be derived from the reduction of the signal intensity of the STD indicator. 22,26 This is demonstrated next on the human serum albumin (HSA) model system. It is known that drugs such as diazepam and the endogenous amino acid tryptophan bind to site II of HSA.…”
Section: Resultsmentioning
confidence: 99%
“…22,26 The equations used to calculate the dissociation constants can be derived as follows. n T 1ρ filter g1 g1 g2 g2…”
Section: Methodsmentioning
confidence: 99%
See 1 more Smart Citation
“…The amide 7 was prepared (Scheme 5) as a reference ligand for a WaterLOGSY assay [50][51][52] to evaluate the de novo designed ligands.…”
Section: Evaluation Of the De Novo Designed Ligandsmentioning
confidence: 99%
“…This approach is suitable for detecting binding affinity in the micromolar range (71), and thus it reveals more differences of the weak interactions. In the APC3 mutant WaterLOGSY experiment, the mutant of S584A/E616R directly affected the peaks 5 and 7, the interactions between the backbone of Arginine side chain and the binding groove.…”
Section: Validate Human Apc3 Interactions With the Ir-tails Through Mmentioning
confidence: 99%