[NMR paper] Fluorinated Carbohydrates as Lectin Ligands: Simultaneous Screening of a Monosaccharide Library and Chemical Mapping by 19F NMR Spectroscopy.
Related ArticlesFluorinated Carbohydrates as Lectin Ligands: Simultaneous Screening of a Monosaccharide Library and Chemical Mapping by 19F NMR Spectroscopy.
J Org Chem. 2020 Dec 01;:
Authors: Martínez JD, Manzano AI, Calviño E, Diego A, Rodriguez de Francisco B, Romanò C, Oscarson S, Millet O, Gabius HJ, Jiménez-Barbero J, Cañada FJ
Abstract
Molecular recognition of carbohydrates is a key step in essential biological processes. Carbohydrate receptors can distinguish monosaccharides even if they only differ in a single aspect of the orientation of the hydroxyl groups or harbor subtle chemical modifications. Hydroxyl-by-fluorine substitution has proven its merits for chemically mapping the importance of hydroxyl groups in carbohydrate-receptor interactions. 19F NMR spectroscopy could thus be adapted to allow contact mapping together with screening in compound mixtures. Using a library of fluorinated glucose (Glc), mannose (Man), and galactose (Gal) derived by systematically exchanging every hydroxyl group by a fluorine atom, we developed a strategy combining chemical mapping and 19F NMR T2 filtering-based screening. By testing this strategy on the proof-of-principle level with a library of 13 fluorinated monosaccharides to a set of three carbohydrate receptors of diverse origin, i.e. the human macrophage galactose-type lectin, a plant lectin, Pisum sativum agglutinin, and the bacterial Gal-/Glc-binding protein from Escherichia coli, it became possible to simultaneously define their monosaccharide selectivity and identify the essential hydroxyls for interaction.
PMID: 33258593 [PubMed - as supplied by publisher]
Simultaneous T1 and T2 mapping of hyperpolarized 13C compounds using the bSSFP sequence #DNPNMR
From The DNP-NMR Blog:
Simultaneous T1 and T2 mapping of hyperpolarized 13C compounds using the bSSFP sequence #DNPNMR
Milshteyn, Eugene, Galen D. Reed, Jeremy W. Gordon, Cornelius von Morze, Peng Cao, Shuyu Tang, Andrew P. Leynes, Peder E.Z. Larson, and Daniel B. Vigneron. “Simultaneous T1 and T2 Mapping of Hyperpolarized 13C Compounds Using the BSSFP Sequence.” Journal of Magnetic Resonance 312 (March 2020): 106691.
https://doi.org/10.1016/j.jmr.2020.106691.
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06-27-2020 01:58 PM
[NMR paper] Efficient affinity ranking of fluorinated ligands by 19F NMR: CSAR and FastCSAR.
Efficient affinity ranking of fluorinated ligands by 19F NMR: CSAR and FastCSAR.
Related Articles Efficient affinity ranking of fluorinated ligands by 19F NMR: CSAR and FastCSAR.
J Biomol NMR. 2020 Jun 16;:
Authors: Rüdisser SH, Goldberg N, Ebert MO, Kovacs H, Gossert AD
Abstract
Fluorine NMR has recently gained high popularity in drug discovery as it allows efficient and sensitive screening of large numbers of ligands. However, the positive hits found in screening must subsequently be ranked according to their affinity in order...
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06-20-2020 03:40 PM
Efficient affinity ranking of fluorinated ligands by 19 F NMR: CSAR and FastCSAR
Efficient affinity ranking of fluorinated ligands by 19 F NMR: CSAR and FastCSAR
Abstract
Fluorine NMR has recently gained high popularity in drug discovery as it allows efficient and sensitive screening of large numbers of ligands. However, the positive hits found in screening must subsequently be ranked according to their affinity in order to prioritize them for follow-up chemistry. Unfortunately, the primary read-out from the screening experiments, namely the increased relaxation rate upon binding, is not proportional to the affinity of the ligand,...
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06-18-2020 03:07 AM
[NMR paper] Development and Validation of 2D Difference Intensity Analysis for Chemical Library Screening by Protein-Detected NMR.
Development and Validation of 2D Difference Intensity Analysis for Chemical Library Screening by Protein-Detected NMR.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--media.wiley.com-assets-7315-19-Wiley_FullText_120x30_orange.png Related Articles Development and Validation of 2D Difference Intensity Analysis for Chemical Library Screening by Protein-Detected NMR.
Chembiochem. 2017 Dec 13;:
Authors: Egner JM, Jensen DR, Olp MD, Kennedy NW, Volkman BF, Peterson FC, Smith BC, Hill RB
Abstract
An academic...
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12-15-2017 09:07 PM
[NMR paper] Glycosyldiselenides as lectin ligands detectable by NMR in biofluids.
Glycosyldiselenides as lectin ligands detectable by NMR in biofluids.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles Glycosyldiselenides as lectin ligands detectable by NMR in biofluids.
Chem Commun (Camb). 2015 Aug 7;51(61):12208-11
Authors: Pérez-Victoria I, Boutureira O, Claridge TD, Davis BG
Abstract
The ability of glycosyldiselenides to act as lectin ligands and their selective detection in plasma by (77)Se NMR is reported.
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02-10-2016 09:28 PM
[NMR paper] Langerin-Heparin Interaction: Two Binding Sites for Small and Large Ligands as revealed by a combination of NMR Spectroscopy and Cross-Linking Mapping Experiments.
Langerin-Heparin Interaction: Two Binding Sites for Small and Large Ligands as revealed by a combination of NMR Spectroscopy and Cross-Linking Mapping Experiments.
Related Articles Langerin-Heparin Interaction: Two Binding Sites for Small and Large Ligands as revealed by a combination of NMR Spectroscopy and Cross-Linking Mapping Experiments.
J Am Chem Soc. 2015 Mar 6;
Authors: Muñoz-García JC, Chabrol E, Vives RR, Thomas A, de Paz JL, Rojo J, Imberty A, Fieschi F, Nieto PM, Angulo J
Abstract
Langerin is a C-type lectin present...
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03-10-2015 07:22 PM
[NMR paper] Fluorinated Carbohydrates as Lectin Ligands: Dissecting Glycan-Cyanovirin Interactions by Using 19 F NMR Spectroscopy.
Fluorinated Carbohydrates as Lectin Ligands: Dissecting Glycan-Cyanovirin Interactions by Using 19 F NMR Spectroscopy.
Fluorinated Carbohydrates as Lectin Ligands: Dissecting Glycan-Cyanovirin Interactions by Using 19 F NMR Spectroscopy.
Chemistry. 2013 Feb 28;
Authors: Matei E, André S, Glinschert A, Infantino AS, Oscarson S, Gabius HJ, Gronenborn AM
Abstract
NMR spectroscopy and isothermal titration calorimetry (ITC) are powerful methods to investigate ligand-protein interactions. Here, we present a versatile and sensitive fluorine NMR...
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03-01-2013 09:57 PM
[NMR paper] Use of 19F NMR spectroscopy to screen chemical libraries for ligands that bind to pro
Use of 19F NMR spectroscopy to screen chemical libraries for ligands that bind to proteins.
Related Articles Use of 19F NMR spectroscopy to screen chemical libraries for ligands that bind to proteins.
Org Biomol Chem. 2004 Mar 7;2(5):725-31
Authors: Tengel T, Fex T, Emtenas H, Almqvist F, Sethson I, Kihlberg J
Identification of compounds from chemical libraries that bind to macromolecules by use of NMR spectroscopy has gained increasing importance during recent years. A simple methodology based on (19)F NMR spectroscopy for the screening of...
Fluorinated Carbohydrates as Lectin Ligands: Simultaneous Screening of a Monosaccharide Library and Chemical Mapping by 19F NMR Spectroscopy.
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