While there has been recent success in the development of KRas^(G12C) inhibitors, unmet needs for selective inhibitors of KRas^(G12D) and the remaining oncogenic KRas proteins remain. Here, we applied trifluoromethyl-containing ligands of KRas proteins as competitive probe ligands to assay the occupancy of the switch II pocket by ^(19)F NMR spectroscopy. Structure-activity-relationship studies of probe ligands increased the sensitivity of the assay and identified structures that differentially...
[NMR paper] Fluorine NMR spectroscopy enables to quantify the affinity between DNA and proteins in cell lysate
Fluorine NMR spectroscopy enables to quantify the affinity between DNA and proteins in cell lysate
The determination of the binding affinity quantifying the interaction between proteins and nucleic acids is of crucial interest in biological and chemical research. Here, we have made use of sitespecific fluorine labeling of the cold shock protein from Bacillus subtiliis , Bs CspB, enabling to directly monitor the interaction with single stranded DNA molecules in cell lysate. High-resolution 19 F NMR spectroscopy has been applied to exclusively report on resonance signals arising from the......
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Antipsychotic phenothiazine drugs bind to KRAS in vitro
Antipsychotic phenothiazine drugs bind to KRAS in vitro
Abstract
We used NMR to show that the antipsychotic phenothiazine drugs promazine and promethazine bind to GDP-KRAS. Promazine also binds to oncogenic GDP-KRAS(G12D), and to wild type GppNHp-KRAS. A panel of additional phenothiazines bind to GDP-KRAS but with lower affinity than promazine or promethazine. Binding is most dependent on substitutions at C-2 of the tricyclic phenothiazine ring. Promazine was used to generate an NMR-driven HADDOCK model of the drug/GDP-KRAS complex. The structural...
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07-03-2021 08:12 PM
[NMR paper] The precious fluorine on the ring: fluorine NMR for biological systems.
The precious fluorine on the ring: fluorine NMR for biological systems.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--production.springer.de-OnlineResources-Logos-springerlink.gif Related Articles The precious fluorine on the ring: fluorine NMR for biological systems.
J Biomol NMR. 2020 Jul 10;:
Authors: Boeszoermenyi A, Ogórek B, Jain A, Arthanari H, Wagner G
Abstract
The fluorine-19 nucleus was recognized early to harbor exceptional properties for NMR spectroscopy. With 100% natural abundance, a high...
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07-13-2020 01:56 AM
The precious fluorine on the ring: fluorine NMR for biological systems
The precious fluorine on the ring: fluorine NMR for biological systems
Abstract
The fluorine-19 nucleus was recognized early to harbor exceptional properties for NMR spectroscopy. With 100% natural abundance, a high gyromagnetic ratio (83% sensitivity compared to 1H), a chemical shift that is extremely sensitive to its surroundings and near total absence in biological systems, it was destined to become a favored NMR probe, decorating small and large molecules. However, after early excitement, where uptake of fluorinated aromatic amino acids was...
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07-10-2020 08:40 PM
[NMR paper] Fluorine-19 NMR spectroscopy of fluorinated analogs of tritrpticin highlights a distinct role for Tyr residues in antimicrobial peptides.
Fluorine-19 NMR spectroscopy of fluorinated analogs of tritrpticin highlights a distinct role for Tyr residues in antimicrobial peptides.
Related Articles Fluorine-19 NMR spectroscopy of fluorinated analogs of tritrpticin highlights a distinct role for Tyr residues in antimicrobial peptides.
Biochim Biophys Acta Biomembr. 2020 Mar 03;:183260
Authors: Arias M, Aramini JM, Riopel ND, Vogel HJ
Abstract
Because of their potential as novel antibiotic agents, antimicrobial peptides (AMPs) have generated considerable interest. The...
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03-07-2020 06:20 PM
[NMR paper] High-resolution three-dimensional NMR structure of the KRAS proto-oncogene promoter reveals key features of a G-quadruplex involved in transcriptional regulation.
High-resolution three-dimensional NMR structure of the KRAS proto-oncogene promoter reveals key features of a G-quadruplex involved in transcriptional regulation.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--highwire.stanford.edu-icons-externalservices-pubmed-standard-jbc_final.gif Related Articles High-resolution three-dimensional NMR structure of the KRAS proto-oncogene promoter reveals key features of a G-quadruplex involved in transcriptional regulation.
J Biol Chem. 2017 May 12;292(19):8082-8091
Authors: Kerkour A,...
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[NMR paper] Weak Intermolecular Hydrogen Bonds with Fluorine: Detection and Implications for Enzymatic/Chemical Reactions, Chemical Properties, and Ligand/Protein Fluorine NMR Screening.
Weak Intermolecular Hydrogen Bonds with Fluorine: Detection and Implications for Enzymatic/Chemical Reactions, Chemical Properties, and Ligand/Protein Fluorine NMR Screening.
Related Articles Weak Intermolecular Hydrogen Bonds with Fluorine: Detection and Implications for Enzymatic/Chemical Reactions, Chemical Properties, and Ligand/Protein Fluorine NMR Screening.
Chemistry. 2016 Apr 26;
Authors: Dalvit C, Vulpetti A
Abstract
It is known that strong hydrogen-bonding interactions play an important role in many chemical and...
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04-27-2016 01:51 PM
[NMR images] Selective Fluorine NMR Spectroscopy :: University of Southampton
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Selective Fluorine NMR Spectroscopy :: University of Southampton
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Probing the KRas Switch II Groove by Fluorine NMR Spectroscopy
Linear Mode
