Rapid acquisition of (1) H and (19) F NMR experiments for direct and competition ligand-based screening.

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Rapid acquisition of (1) H and (19) F NMR experiments for direct and competition ligand-based screening.

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NMR processing:

MDD

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Structure from NMR restraints:

Ab initio:

Fragment-based:

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GeNMR

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Torsion angles from chemical shifts:

Preditor

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Secondary structure from chemical shifts:

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Camcoil

Poulsen_rc_CS

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Solid-state NMR:

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03-10-2011, 03:51 PM

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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 for this purpose. Two of these techniques are the (19) F T(2) filter and the (1) H selective T(2) filter experiments. Modifications of the pulse sequences of these experiments have resulted in a ~2-fold reduction in the experiment time thus allowing an increase in the screening throughput and making NMR an attractive technique for screening large compound collections. Copyright © 2011 John Wiley & Sons, Ltd.

PMID: 21387401 [PubMed - as supplied by publisher]

Source: PubMed

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