Applications of 19F-NMR in fragment-based drug discovery

Research output: Contribution to journalReview ArticleResearchpeer-review

Abstract

19F-NMR has proved to be a valuable tool in fragment-based drug discovery. Its applications include screening libraries of fluorinated fragments, assessing competition among elaborated fragments and identifying the binding poses of promising hits. By observing fluorine in both the ligand and the target protein, useful information can be obtained on not only the binding pose but also the dynamics of ligand-protein interactions. These applications of 19F-NMR will be illustrated in this review with studies from our fragment-based drug discovery campaigns against protein targets in parasitic and infectious diseases.

Original languageEnglish
Article number860
Number of pages13
JournalMolecules
Volume21
Issue number7
DOIs
Publication statusPublished - 1 Jul 2016

Keywords

  • F-NMR
  • Chemical shift
  • Fragment-based drug design
  • Labelling
  • Ligand
  • Linewidth
  • Peptide
  • Protein

Cite this

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author = "Norton, {Raymond S.} and Leung, {Eleanor W. W.} and Chandrashekaran, {Indu R.} and MacRaild, {Christopher A.}",
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Applications of 19F-NMR in fragment-based drug discovery. / Norton, Raymond S.; Leung, Eleanor W. W.; Chandrashekaran, Indu R.; MacRaild, Christopher A.

In: Molecules, Vol. 21, No. 7, 860, 01.07.2016.

Research output: Contribution to journalReview ArticleResearchpeer-review

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AU - Leung, Eleanor W. W.

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AB - 19F-NMR has proved to be a valuable tool in fragment-based drug discovery. Its applications include screening libraries of fluorinated fragments, assessing competition among elaborated fragments and identifying the binding poses of promising hits. By observing fluorine in both the ligand and the target protein, useful information can be obtained on not only the binding pose but also the dynamics of ligand-protein interactions. These applications of 19F-NMR will be illustrated in this review with studies from our fragment-based drug discovery campaigns against protein targets in parasitic and infectious diseases.

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KW - Chemical shift

KW - Fragment-based drug design

KW - Labelling

KW - Ligand

KW - Linewidth

KW - Peptide

KW - Protein

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