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

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dc.abstract.enA 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 b-catenin.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorBeier, Petr
dc.contributor.authorKonrat, Robert
dc.contributor.authorIakobson, George
dc.contributor.authorZawadzka-Kazimierczuk, Anna
dc.contributor.authorKaehlig, Hanspeter
dc.contributor.authorSomlyay, Mate
dc.date.accessioned2024-01-24T15:35:25Z
dc.date.available2024-01-24T15:35:25Z
dc.date.copyright2018-12-05
dc.date.issued2018
dc.description.accesstimeAT_PUBLICATION
dc.description.financeNie dotyczy
dc.description.number71
dc.description.versionFINAL_PUBLISHED
dc.description.volume8
dc.identifier.doi10.1039/C8RA09296F
dc.identifier.issn2046-2069
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/100026
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofRSC Advances
dc.relation.pages40687-40692
dc.rightsCC-BY-NC
dc.sciencecloudnosend
dc.title19F multiple-quantum coherence NMR spectroscopy for probing protein–ligand interactions†
dc.typeJournalArticle
dspace.entity.typePublication