Related ArticlesApplication of LC-NMR to the identification of bulk drug impurities in NK1 antagonist GW597599 (vestipitant).
Magn Reson Chem. 2010 Jul;48(7):523-30
Authors: Provera S, Guercio G, Turco L, Curcuruto O, Alvaro G, Rossi T, Marchioro C
Liquid chromatography-NMR (LC-NMR) spectroscopy was used to obtain detailed information regarding the structure of the major bulk drug impurities present in GW597599 (vestipitant). The one-dimensional (1)H LC-NMR experiments were performed in both continuous and stop-flow modes on a sample of GW597599 (vestipitant) enriched with mother liquor impurities. The information derived from both LC-NMR and LC-MS data provided the structural information of all major impurities. The full characterisation of the impurities by high-resolution NMR spectroscopy was ultimately performed on appropriately synthesised compounds.
Researchers Look at Averting Drug Resistance - Drug Discovery & Development
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Researchers Look at Averting Drug Resistance
Drug Discovery & Development
Kern and her team studied the protein using nuclear magnetic resonance spectroscopy, adding a drug mimetic in order to learn how the structure EmrE was designed and how it functioned as it was transportingâ??moving the drug from the inside of the cell ...
Researchers Look at Averting Drug Resistance - Drug Discovery & Development
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nmrlearner
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02-02-2012 09:43 PM
[Question from NMRWiki Q&A forum] bulk water relaxation dependence on temperature
bulk water relaxation dependence on temperature
Is liquid water's relaxation rate strongly dependent on temperature, and does anyone have a link to a good online article with the dependency equation?Thanks!
Check if somebody has answered this question on NMRWiki QA forum
nmrlearner
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12-23-2011 10:21 AM
Application of NMR and Molecular Docking in Structure-Based Drug Discovery.
Application of NMR and Molecular Docking in Structure-Based Drug Discovery.
Application of NMR and Molecular Docking in Structure-Based Drug Discovery.
Top Curr Chem. 2011 Sep 14;
Authors: Stark JL, Powers R
Abstract
Drug discovery is a complex and costly endeavor, where few drugs that reach the clinical testing phase make it to market. High-throughput screening (HTS) is the primary method used by the pharmaceutical industry to identify initial lead compounds. Unfortunately, HTS has a high failure rate and is not particularly efficient at...
nmrlearner
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09-15-2011 08:31 PM
[Question from NMRWiki Q&A forum] About paragnetic impurities, inorganic salts, bad workups, etc. and their impact on small-molecule NMR spectra
About paragnetic impurities, inorganic salts, bad workups, etc. and their impact on small-molecule NMR spectra
I sometimes face the challenge of explaining to my organic chemists that, even if no impurity signals are visible in their 1H spectrum, other signs (like FID shape, very poor s/n compared to what could be expected with the sample qty, broad peaks, bad resolution...) indicate that clearly, something is wrong with their sample.
Everybody would agree that it's way much easier to convince an invidual based on concrete facts ("look, here we can see solvent/starting material/side...
nmrlearner
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03-31-2011 09:21 PM
NMR and protein structure in drug design: application to cyclotides and conotoxins.
NMR and protein structure in drug design: application to cyclotides and conotoxins.
NMR and protein structure in drug design: application to cyclotides and conotoxins.
Eur Biophys J. 2011 Feb 3;
Authors: Daly NL, Rosengren KJ, Troeira Henriques S, Craik DJ
Nuclear magnetic resonance spectroscopy (NMR) is a powerful technique for determining the structures, dynamics and interactions of molecules, and the derived information can be useful in drug design applications. This article gives a brief overview of the role of NMR in drug design and...
nmrlearner
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02-04-2011 11:34 AM
Application of LC-NMR and HR-NMR to the characterization of biphenyl impurities in th
Application of LC-NMR and HR-NMR to the characterization of biphenyl impurities in the synthetic route development for vestipitant, a novel NK1 antagonist.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Application of LC-NMR and HR-NMR to the characterization of biphenyl impurities in the synthetic route development for vestipitant, a novel NK1 antagonist.
J Pharm Biomed Anal. 2010 Nov 2;53(3):389-95
Authors: Provera S, Martini L, Guercio G, Turco L, Costa L, Marchioro C
...
nmrlearner
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09-19-2010 03:08 AM
Application of NMR Spectroscopy in Medicinal Chemistry and Drug Discovery.
Application of NMR Spectroscopy in Medicinal Chemistry and Drug Discovery.
Related Articles Application of NMR Spectroscopy in Medicinal Chemistry and Drug Discovery.
Curr Top Med Chem. 2010 Sep 2;
Authors: Ohno A, Inomata K, Tochio H, Shirakawa M
"In-cell nuclear magnetic resonance (NMR)" is a unique method for characterization of conformation, interaction and dynamics of proteins inside living cells at atomic level. Since the method was proposed by Dötch and co-workers in 2001 , its application had been limited to bacterial cells and...
Application of LC-NMR to the identification of bulk drug impurities in NK1 antagonist
Linear Mode
