[NMR paper] Studying the interaction of glycans with intact virions and virus-like particles by ligand-observed NMR spectroscopy
Studying the interaction of glycans with intact virions and virus-like particles by ligand-observed NMR spectroscopy
Virus-glycan interactions play a crucial role in the infection process of many viruses. NMR spectroscopy has emerged as a powerful tool for studying these interactions at the molecular level. In this article, we review several published papers and reports that have highlighted the application of NMR spectroscopy in understanding the complex questions of how viruses engage with and bind to receptor glycans. The use of saturation transfer difference (STD) NMR spectroscopy has...
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10-03-2023 02:16 AM
[NMR paper] Determination of Ligand-Binding Affinity (Kd) Using Transverse Relaxation Rate (R2) in the Ligand-Observed 1H NMR Experiment and Applications to Fragment-Based Drug Discovery
Determination of Ligand-Binding Affinity (Kd) Using Transverse Relaxation Rate (R2) in the Ligand-Observed 1H NMR Experiment and Applications to Fragment-Based Drug Discovery
High hit rates from initial ligand-observed NMR screening can make it challenging to prioritize which hits to follow up, especially in cases where there are no available crystal structures of these hits bound to the target proteins or other strategies to provide affinity ranking. Here, we report a reproducible, accurate, and versatile quantitative ligand-observed NMR assay, which can determine K(d) values of fragments...
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07-20-2023 06:33 AM
[NMR paper] (19)F NMR viewed through two different lenses: ligand-observed and protein-observed (19)F NMR applications for fragment-based drug discovery
(19)F NMR viewed through two different lenses: ligand-observed and protein-observed (19)F NMR applications for fragment-based drug discovery
^(19)F NMR has emerged as a powerful tool in drug discovery, particularly in fragment-based screens. The favorable magnetic resonance properties of the fluorine-19 nucleus, the general absence of fluorine in biological settings, and its ready incorporation into both small molecules and biopolymers, has enabled multiple applications of ^(19)F NMR using labeled small molecules and proteins in biophysical, biochemical, and cellular experiments. This...
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10-27-2021 10:50 PM
[NMR paper] Combined Protein- and Ligand-Observed NMR Workflow to Screen Fragment Cocktails against Multiple Proteins: A Case Study Using Bromodomains.
Combined Protein- and Ligand-Observed NMR Workflow to Screen Fragment Cocktails against Multiple Proteins: A Case Study Using Bromodomains.
Related Articles Combined Protein- and Ligand-Observed NMR Workflow to Screen Fragment Cocktails against Multiple Proteins: A Case Study Using Bromodomains.
Molecules. 2020 Aug 29;25(17):
Authors: Johnson JA, Olson NM, Tooker MJ, Bur SK, Pomerantz WCK
Abstract
As fragment-based drug discovery has become mainstream, there has been an increase in various screening methodologies....
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09-13-2020 09:18 AM
[NMR paper] Protein-observed 19F NMR of LecA from Pseudomonas aeruginosa.
Protein-observed 19F NMR of LecA from Pseudomonas aeruginosa.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/https:--academic.oup.com-images-oup_pubmed.png Related Articles Protein-observed 19F NMR of LecA from Pseudomonas aeruginosa.
Glycobiology. 2020 Jun 23;:
Authors: Shanina E, Siebs E, Zhang H, Silva DV, Joachim I, Titz A, Rademacher C
Abstract
The carbohydrate-binding protein LecA (PA-IL) from Pseudomonas aeruginosa plays an important role in the formation of biofilms in chronic infections. Development of...
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06-25-2020 02:58 AM
2-Fluorotyrosine is a valuable but understudied amino acid for protein-observed 19 F NMR
2-Fluorotyrosine is a valuable but understudied amino acid for protein-observed 19 F NMR
Abstract
Incorporation of 19F into proteins allows for the study of their molecular interactions via NMR. The study of 19F labeled aromatic amino acids has largely focused on 4-,5-, or 6-fluorotryptophan, 4-fluorophenylalanine, (4,5, or 6FW) or 3-fluorotyrosine (3FY), whereas 2-fluorotyrosine (2FY) has remained largely understudied. Here we report a comparative analysis with different fluorinated amino acids. We first report the NMR chemical shift...
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02-29-2020 09:52 PM
[NMR paper] Fast and Efficient Fragment-Based Lead Generation by Fully Automated Processing and Analysis of Ligand-Observed NMR Binding Data.
Fast and Efficient Fragment-Based Lead Generation by Fully Automated Processing and Analysis of Ligand-Observed NMR Binding Data.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Fast and Efficient Fragment-Based Lead Generation by Fully Automated Processing and Analysis of Ligand-Observed NMR Binding Data.
J Med Chem. 2016 Apr 14;59(7):3303-10
Authors: Peng C, Frommlet A, Perez M, Cobas C, Blechschmidt A, Dominguez S, Lingel A
Abstract
NMR...
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09-28-2016 06:22 PM
[NMR paper] Protein-Observed Fluorine NMR is a Complementary Ligand Discovery Method to 1H CPMG Ligand-Observed NMR.
Protein-Observed Fluorine NMR is a Complementary Ligand Discovery Method to 1H CPMG Ligand-Observed NMR.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Protein-Observed Fluorine NMR is a Complementary Ligand Discovery Method to 1H CPMG Ligand-Observed NMR.
ACS Chem Biol. 2016 Sep 14;
Authors: Urick AK, Calle Jiménez LP, Espinosa JF, Hu H, Pomerantz WC
Abstract
To evaluate its potential as a ligand discovery tool, we compare a newly developed...
19F NMR viewed through two different lenses: ligand-observed and protein-observed 19F NMR applications for ... - ScienceDirect
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