Related ArticlesSensitivity improvement in 19F NMR-based screening experiments: theoretical considerations and experimental applications.
J Am Chem Soc. 2005 Sep 28;127(38):13380-5
Authors: Dalvit C, Mongelli N, Papeo G, Giordano P, Veronesi M, Moskau D, Kümmerle R
NMR-based binding and functional screening performed with FAXS (fluorine chemical shift anisotropy and exchange for screening) and 3-FABS (three fluorine atoms for biochemical screening) represents a potential alternative approach to high-throughput screening for the identification of novel potential drug candidates. The major limitation of this method in its current status is its intrinsic low sensitivity that limits the number of tested compounds. One approach for overcoming this problem is the use of a cryogenically cooled (19)F probe that reduces the thermal noise in the receiver circuitry. Sensitivity improvement in the two screening techniques achieved with the novel cryogenic (19)F probe technology permits an increased throughput, detection of weaker binders and inhibitors (relevant in a fragment-based lead discovery program), detection of slow binders, and reduction in protein and substrate consumption. These aspects are analyzed with theoretical simulations and experimental quantitative performance evaluation. Application of 3-FABS combined with the cryogenic (19)F probe technology to rapid screening at very low enzyme concentrations and the current detection limits reached with this approach are also presented.
Signal enhancement for the sensitivity-limited solid state NMR experiments using a continuous, non-uniform acquisition scheme.
Signal enhancement for the sensitivity-limited solid state NMR experiments using a continuous, non-uniform acquisition scheme.
Signal enhancement for the sensitivity-limited solid state NMR experiments using a continuous, non-uniform acquisition scheme.
J Magn Reson. 2011 Aug 30;
Authors: Qiang W
Abstract
We describe a sampling scheme for the two-dimensional (2D) solid state NMR experiments, which can be readily applied to the sensitivity-limited samples. The sampling scheme utilizes continuous, non-uniform sampling profile for the...
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09-21-2011 03:31 PM
Rapid acquisition of (1) H and (19) F NMR experiments for direct and competition ligand-based screening.
Rapid acquisition of (1) H and (19) F NMR experiments for direct and competition ligand-based screening.
Rapid acquisition of (1) H and (19) F NMR experiments for direct and competition ligand-based screening.
Magn Reson Chem. 2011 Mar 9;
Authors: Dalvit C, Gossert AD, Coutant J, Piotto M
Direct and competition ligand-based NMR experiments are often used in the screening of chemical fragment libraries against a protein target due to the high relative sensitivity of NMR for protein-binding events. A plethora of NMR methods has been proposed...
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03-10-2011 03:51 PM
[NMR paper] Leveraging structural approaches: applications of NMR-based screening and X-ray cryst
Leveraging structural approaches: applications of NMR-based screening and X-ray crystallography for inhibitor design.
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J Synchrotron Radiat. 2004 Jan 1;11(Pt 1):97-100
Authors: Moore J, Abdul-Manan N, Fejzo J, Jacobs M, Lepre C, Peng J, Xie X
In the last several years, NMR strategies in drug discovery have evolved from a primarily structural focus to a set of technologies that are non-structural in nature but...
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11-24-2010 09:16 PM
[NMR paper] Fluorine-NMR experiments for high-throughput screening: theoretical aspects, practica
Fluorine-NMR experiments for high-throughput screening: theoretical aspects, practical considerations, and range of applicability.
Related Articles Fluorine-NMR experiments for high-throughput screening: theoretical aspects, practical considerations, and range of applicability.
J Am Chem Soc. 2003 Jun 25;125(25):7696-703
Authors: Dalvit C, Fagerness PE, Hadden DT, Sarver RW, Stockman BJ
Competition ligand-based NMR screening experiments have recently been introduced to overcome most of the problems associated with traditional ligand-based NMR...
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11-24-2010 09:01 PM
[NMR paper] Structure-based analysis of protein dynamics: comparison of theoretical results for h
Structure-based analysis of protein dynamics: comparison of theoretical results for hen lysozyme with X-ray diffraction and NMR relaxation data.
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Proteins. 1999 Dec 1;37(4):654-67
Authors: Haliloglu T, Bahar I
An analytical approach based on Gaussian network model (GNM) is proposed for predicting the rotational dynamics of proteins. The method, previously shown to successfully...
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11-18-2010 08:31 PM
[BMNRC community] NMR-based screening: a powerful tool in fragment-based drug discovery
NMR-based screening: a powerful tool in fragment-based drug discovery
http://www.rsc.org/delivery/_ArticleLinking/DisplayHTMLArticleforfree.cfm?JournalCode=AN&Year=2007&ManuscriptID=b709658p&Iss=7
Go to BMNRC community to find more info about this topic.
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09-02-2010 04:59 AM
[NMR thesis] Theoretical and experimental investigations in MEMS-based force detected NMR
Theoretical and experimental investigations in MEMS-based force detected NMR
Elgammal, Ramez Ahmed (2005) Theoretical and experimental investigations in MEMS-based force detected NMR. Dissertation (Ph.D.), California Institute of Technology. http://resolver.caltech.edu/CaltechETD:etd-02182006-145814
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Sensitivity improvement in 19F NMR-based screening experiments: theoretical considerations and experimental applications.
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