Issue 71, 2018

19F multiple-quantum coherence NMR spectroscopy for probing protein–ligand interactions

Abstract

A new 19F NMR method is presented which can be used to detect weak protein binding of small molecules with up to mM affinity. The method capitalizes on the synthetic availability of unique SF5 containing compounds and the generation of five-quantum coherences (5QC). Given the high sensitivity of 5QC relaxation to exchange events (i.e. reversible protein binding) fragments which bind to the target with weak affinity can be identified. The utility of the method in early stage drug discovery programs is demonstrated with applications to two model proteins, the neurotoxic NGAL and the prominent tumor target β-catenin.

Graphical abstract: 19F multiple-quantum coherence NMR spectroscopy for probing protein–ligand interactions

Associated articles

Supplementary files

Article information

Article type
Paper
Submitted
10 Xim 2018
Accepted
28 Xim 2018
First published
05 Kax 2018
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2018,8, 40687-40692

19 F multiple-quantum coherence NMR spectroscopy for probing protein–ligand interactions

A. Zawadzka-Kazimierczuk, M. Somlyay, H. Kaehlig, G. Iakobson, P. Beier and R. Konrat, RSC Adv., 2018, 8, 40687 DOI: 10.1039/C8RA09296F

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