Benchtop NMR is becoming an increasingly important tool, sometimes providing a simple and low-cost alternative to high-field NMR. The Achilles heel of NMR and even more critically of benchtop NMR is its limited sensitivity. However, when combined with hyperpolarization techniques, the sensitivity boost can provide excellent sensitivity that can even make benchtop NMR compatible with affinity studies for drug discovery. Hyperpolarization by dissolution dynamic nuclear polarization (dDNP) provides...
[NMR paper] Fragment Screening and Fast Micromolar Detection on a Benchtop NMR Spectrometer Boosted by Photoinduced Hyperpolarization
Fragment Screening and Fast Micromolar Detection on a Benchtop NMR Spectrometer Boosted by Photoinduced Hyperpolarization
Fragment-based drug design is a well-established strategy for rational drug design, with nuclear magnetic resonance (NMR) on high-field spectrometers as the method of reference for screening and hit validation. However, high-field NMR spectrometers are not only expensive, but require specialized maintenance, dedicated space, and depend on liquid helium cooling which became critical over the recurring global helium shortages. We propose an alternative to high-field NMR...
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08-01-2023 10:34 PM
Affinity screening using competitive binding with fluorine-19 hyperpolarized ligands
From The DNP-NMR Blog:
Affinity screening using competitive binding with fluorine-19 hyperpolarized ligands
Kim, Y. and C. Hilty, Affinity screening using competitive binding with fluorine-19 hyperpolarized ligands. Angew Chem Int Ed Engl, 2015. 54(16): p. 4941-4.
http://www.ncbi.nlm.nih.gov/pubmed/25703090
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10-08-2015 12:56 AM
[NMR paper] SEAL by NMR: Glyco-Based Selenium-Labeled Affinity Ligands Detected by NMR Spectroscopy.
SEAL by NMR: Glyco-Based Selenium-Labeled Affinity Ligands Detected by NMR Spectroscopy.
Related Articles SEAL by NMR: Glyco-Based Selenium-Labeled Affinity Ligands Detected by NMR Spectroscopy.
Chemistry. 2014 Sep 5;
Authors: Hamark C, Landström J, Widmalm G
Abstract
We report a method for the screening of interactions between proteins and selenium-labeled carbohydrate ligands. SEAL by NMR is demonstrated with selenoglycosides binding to lectins where the selenium nucleus serves as an NMR-active handle and reports on binding...
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09-10-2014 11:24 AM
[NMR paper] Ranking high affinity ligands of low solubility by NMR spectroscopy.
Ranking high affinity ligands of low solubility by NMR spectroscopy.
Related Articles Ranking high affinity ligands of low solubility by NMR spectroscopy.
ACS Med Chem Lett. 2011 Jun 9;2(6):485-7
Authors: Landrieu I, Hanoulle X, Fritzinger B, Horvath D, Wieruszeski JM, Lippens G
Abstract
Cyclosporine A (CsA) and its chemical analogues EthVal4Cs, MeVal4Cs, and Me(d-Ala)3EthVal4Cs (Alisporivir) all interact with cyclophilin A (CypA). The latter Alisporivir is a nonimmunosuppressive CsA derivative that has potent anti-HCV properties...
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06-07-2014 07:12 PM
[NMR paper] NMR screening of new carbocyanine dyes as ligands for affinity chromatography.
NMR screening of new carbocyanine dyes as ligands for affinity chromatography.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--media.wiley.com-assets-2250-98-WileyOnlineLibrary-Button_120x27px_FullText.gif Related Articles NMR screening of new carbocyanine dyes as ligands for affinity chromatography.
J Mol Recognit. 2014 Apr;27(4):197-204
Authors: Cruz C, Boto RE, Drzazga AK, Almeida P, Queiroz JA
Abstract
Four new carbocyanines containing symmetric and asymmetric heterocyclic moieties and N-carboxyalkyl groups have...
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03-05-2014 11:57 PM
[NMR900 blog] picoSpin Benchtop NMR Spectrometer - Demonstration
picoSpin Benchtop NMR Spectrometer - Demonstration
Cole-Parmer Canada will be hosting a live demonstration of the picoSpin, the world's first commercial miniature FT-NMR spectrometer. Two demonstrations are scheduled, one in Montreal on October 4th, 2011 and one in Toronto on October 5th. There is no cost to attend the event, and complimentary snacks and beverages will be served. Please contact Roberto Santana at 514-355-6100 ext. 250 or (rsantana "at" coleparmer.ca) for more information and to reserve your spot.
If there will be enough interest, an additional demonstration is possible...
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09-09-2011 08:41 AM
[NMR paper] Competition STD NMR for the detection of high-affinity ligands and NMR-based screenin
Competition STD NMR for the detection of high-affinity ligands and NMR-based screening.
Related Articles Competition STD NMR for the detection of high-affinity ligands and NMR-based screening.
Magn Reson Chem. 2004 Jun;42(6):485-9
Authors: Wang YS, Liu D, Wyss DF
The reported competition STD NMR method combines saturation transfer difference (STD) NMR with competition binding experiments to allow the detection of high-affinity ligands that undergo slow chemical exchange on the NMR time-scale. With this technique, the presence of a competing...
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11-24-2010 09:51 PM
[NMR paper] Discovering high-affinity ligands for proteins: SAR by NMR.
Discovering high-affinity ligands for proteins: SAR by NMR.
Related Articles Discovering high-affinity ligands for proteins: SAR by NMR.
Science. 1996 Nov 29;274(5292):1531-4
Authors: Shuker SB, Hajduk PJ, Meadows RP, Fesik SW
A nuclear magnetic resonance (NMR)-based method is described in which small organic molecules that bind to proximal subsites of a protein are identified, optimized, and linked together to produce high-affinity ligands. The approach is called "SAR by NMR" because structure-activity relationships (SAR) are obtained from...
Micromolar Concentration Affinity Study on a Benchtop NMR Spectrometer with Secondary (13)C Labeled Hyperpolarized Ligands
Linear Mode
