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Applications of (19)F-NMR in Fragment-Based Drug Discovery

(19)F-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 t...

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Autores principales: Norton, Raymond S., Leung, Eleanor W. W., Chandrashekaran, Indu R., MacRaild, Christopher A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273323/
https://www.ncbi.nlm.nih.gov/pubmed/27438818
http://dx.doi.org/10.3390/molecules21070860
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author Norton, Raymond S.
Leung, Eleanor W. W.
Chandrashekaran, Indu R.
MacRaild, Christopher A.
author_facet Norton, Raymond S.
Leung, Eleanor W. W.
Chandrashekaran, Indu R.
MacRaild, Christopher A.
author_sort Norton, Raymond S.
collection PubMed
description (19)F-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 (19)F-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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spelling pubmed-62733232018-12-28 Applications of (19)F-NMR in Fragment-Based Drug Discovery Norton, Raymond S. Leung, Eleanor W. W. Chandrashekaran, Indu R. MacRaild, Christopher A. Molecules Review (19)F-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 (19)F-NMR will be illustrated in this review with studies from our fragment-based drug discovery campaigns against protein targets in parasitic and infectious diseases. MDPI 2016-07-16 /pmc/articles/PMC6273323/ /pubmed/27438818 http://dx.doi.org/10.3390/molecules21070860 Text en © 2016 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC-BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Norton, Raymond S.
Leung, Eleanor W. W.
Chandrashekaran, Indu R.
MacRaild, Christopher A.
Applications of (19)F-NMR in Fragment-Based Drug Discovery
title Applications of (19)F-NMR in Fragment-Based Drug Discovery
title_full Applications of (19)F-NMR in Fragment-Based Drug Discovery
title_fullStr Applications of (19)F-NMR in Fragment-Based Drug Discovery
title_full_unstemmed Applications of (19)F-NMR in Fragment-Based Drug Discovery
title_short Applications of (19)F-NMR in Fragment-Based Drug Discovery
title_sort applications of (19)f-nmr in fragment-based drug discovery
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273323/
https://www.ncbi.nlm.nih.gov/pubmed/27438818
http://dx.doi.org/10.3390/molecules21070860
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