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 language | English |
|---|---|
| Article number | 860 |
| Number of pages | 13 |
| Journal | Molecules |
| Volume | 21 |
| Issue number | 7 |
| DOIs | |
| Publication status | Published - 1 Jul 2016 |
UN SDGs
This output contributes to the following UN Sustainable Development Goals (SDGs)
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SDG 3 Good Health and Well-being
Keywords
- F-NMR
- Chemical shift
- Fragment-based drug design
- Labelling
- Ligand
- Linewidth
- Peptide
- Protein
Projects
- 3 Finished
-
Inhibitors of Inducible Nitric Oxide Synthase (iNOS) Regulation as a Basis for Novel Anti-Infective Agents
Norton, R. (Primary Chief Investigator (PCI)), Scanlon, M. (Chief Investigator (CI)) & Baell, J. (Partner Investigator (PI))
NHMRC - National Health and Medical Research Council (Australia)
1/01/12 → 31/12/14
Project: Research
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A New Class of Anti-Malarial Agents Targetting Apical Membrane Antigen
Norton, R. (Primary Chief Investigator (PCI)), McGowan, S. (Chief Investigator (CI)), Scammells, P. (Chief Investigator (CI)) & Scanlon, M. (Chief Investigator (CI))
NHMRC - National Health and Medical Research Council (Australia)
1/01/12 → 31/12/14
Project: Research
-
NHMRC Research Fellowship
Norton, R. (Primary Chief Investigator (PCI))
NHMRC - National Health and Medical Research Council (Australia)
1/01/09 → 31/12/18
Project: Research
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