Related ArticlesNMR Methods for Identification of False Positives in Biochemical Screens.
J Med Chem. 2017 Dec 14;60(23):9437-9447
Authors: Zega A
Abstract
Over the past few decades, NMR spectroscopy has become an established tool in drug discovery. This communication will highlight the potential of NMR spectroscopy as a method for identification of problematic compounds and as a valuable aid toward revealing some mechanisms of promiscuous behavior. NMR methods for detecting false positives will be analyzed on the basis of their performance, strengths, limitations, and potential pitfalls. Additionally, this communication aims to provide an insight into the limitations of NMR-based methodologies applied to ligand screening in the context of false-positive hits.
[NMR paper] NMRmix: A Tool for the Optimization of Compound Mixtures in 1D (1)H NMR Ligand Affinity Screens.
NMRmix: A Tool for the Optimization of Compound Mixtures in 1D (1)H NMR Ligand Affinity Screens.
Related Articles NMRmix: A Tool for the Optimization of Compound Mixtures in 1D (1)H NMR Ligand Affinity Screens.
J Proteome Res. 2016 Mar 11;
Authors: Stark JL, Eghbalnia HR, Lee W, Westler WM, Markley JL
Abstract
NMR ligand affinity screening is a powerful technique that is routinely used in drug discovery or functional genomics to directly detect protein-ligand binding events. Binding events can be identified by monitoring...
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Biochemical Methods To Investigate lncRNA and the Influence of lncRNA:ProteinComplexes on Chromatin
Biochemical Methods To Investigate lncRNA and the Influence of lncRNA:ProteinComplexes on Chromatin
http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.5b01141/20160224/images/medium/bi-2015-011416_0009.gif
Biochemistry
DOI: 10.1021/acs.biochem.5b01141
http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA
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02-25-2016 05:21 AM
[NMR paper] Statistical removal of background signals from high-throughput (1)H NMR line-broadening ligand-affinity screens.
Statistical removal of background signals from high-throughput (1)H NMR line-broadening ligand-affinity screens.
Statistical removal of background signals from high-throughput (1)H NMR line-broadening ligand-affinity screens.
J Biomol NMR. 2015 Jul 9;
Authors: Worley B, Sisco NJ, Powers R
Abstract
NMR ligand-affinity screens are vital to drug discovery, are routinely used to screen fragment-based libraries, and used to verify chemical leads from high-throughput assays and virtual screens. NMR ligand-affinity screens are...
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07-12-2015 07:12 AM
Statistical removal of background signals from high-throughput 1 H NMR line-broadening ligand-affinity screens
Statistical removal of background signals from high-throughput 1 H NMR line-broadening ligand-affinity screens
Abstract
NMR ligand-affinity screens are vital to drug discovery, are routinely used to screen fragment-based libraries, and used to verify chemical leads from high-throughput assays and virtual screens. NMR ligand-affinity screens are also a highly informative first step towards identifying functional epitopes of unknown proteins, as well as elucidating the biochemical functions of proteinā??ligand interaction at their binding interfaces....
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07-08-2015 11:11 PM
[BMNRC community] Biochemical Applications of NMR Spectroscopy
Biochemical Applications of NMR Spectroscopy
http://www.bioc.aecom.yu.edu/labs/girvlab/nmr/course/syllabus.html
By The Girvin Lab
@ Department of Biochemistry at the Albert Einstein College of Medicine
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07-22-2011 10:38 AM
[NMR paper] ALARM NMR: a rapid and robust experimental method to detect reactive false positives
ALARM NMR: a rapid and robust experimental method to detect reactive false positives in biochemical screens.
Related Articles ALARM NMR: a rapid and robust experimental method to detect reactive false positives in biochemical screens.
J Am Chem Soc. 2005 Jan 12;127(1):217-24
Authors: Huth JR, Mendoza R, Olejniczak ET, Johnson RW, Cothron DA, Liu Y, Lerner CG, Chen J, Hajduk PJ
High-throughput screening (HTS) of large compound collections typically results in numerous small molecule hits that must be carefully evaluated to identify valid drug...
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11-24-2010 11:14 PM
[NMR paper] Biochemical characterization and NMR studies of the nucleotide-binding domain 1 of mu
Biochemical characterization and NMR studies of the nucleotide-binding domain 1 of multidrug-resistance-associated protein 1: evidence for interaction between ATP and Trp653.
Related Articles Biochemical characterization and NMR studies of the nucleotide-binding domain 1 of multidrug-resistance-associated protein 1: evidence for interaction between ATP and Trp653.
Biochem J. 2003 Dec 15;376(Pt 3):749-56
Authors: Ramaen O, Masscheleyn S, Duffieux F, Pamlard O, Oberkampf M, Lallemand JY, Stoven V, Jacquet E
Multidrug-resistance-associated...
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11-24-2010 09:16 PM
[NMR paper] An RBD that does not bind RNA: NMR secondary structure determination and biochemical
An RBD that does not bind RNA: NMR secondary structure determination and biochemical properties of the C-terminal RNA binding domain from the human U1A protein.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles An RBD that does not bind RNA: NMR secondary structure determination and biochemical properties of the C-terminal RNA binding domain from the human U1A protein.
J Mol Biol. 1995 Apr 7;247(4):739-52
Authors: Lu J, Hall KB
We have obtained backbone 1H, 15N, and 13C...
NMR Methods for Identification of False Positives in Biochemical Screens.
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