NMR spectroscopy is currently extensively used in binding assays for hit identification, but its use in dissociation constant determination is more limited when compared to other biophysical techniques, in particular for tight binders. Although NMR is quite suitable for measuring the binding strength of weak to medium affinity ligands with dissociation constant K(D) > 1 ?M, it has some limitations in the determination of the binding strength of tight binders (K(D) < 1 ?M). A theoretical analysis...
[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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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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[NMR paper] Structural characterisation of high affinity Siglec-2 (CD22) ligands in complex with whole Burkitt's lymphoma (BL) Daudi cells by NMR spectroscopy.
Structural characterisation of high affinity Siglec-2 (CD22) ligands in complex with whole Burkitt's lymphoma (BL) Daudi cells by NMR spectroscopy.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.nature.com-images-lo_npg.gif http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/https:--www.ncbi.nlm.nih.gov-corehtml-pmc-pmcgifs-pubmed-pmc.gif Related Articles Structural characterisation of high affinity Siglec-2 (CD22) ligands in complex with whole Burkitt's lymphoma (BL) Daudi cells by NMR spectroscopy.
Sci Rep. 2016 11...
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[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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[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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[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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[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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[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...
Affinity measurement of strong ligands with NMR spectroscopy: Limitations and ways to overcome them
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