Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5

Clémentine Aguirre; Tim ten Brink; Jean-François Guichou; Olivier Cala; Isabelle Krimm

doi:10.1371/journal.pone.0102300

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Open Access

Peer-reviewed

Research Article

Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5

Clémentine Aguirre ,

Contributed equally to this work with: Clémentine Aguirre, Tim ten Brink

Affiliation Institut des Sciences Analytiques, CNRS UMR 5280, Université de Lyon, Villeurbanne, France
⨯
Tim ten Brink ,

Contributed equally to this work with: Clémentine Aguirre, Tim ten Brink

Affiliation Institut des Sciences Analytiques, CNRS UMR 5280, Université de Lyon, Villeurbanne, France
⨯
Jean-François Guichou,

Affiliation Centre de Biochimie Structurale, INSERM U1054, CNRS UMR5048, Université Montpellier 1 et 2, Montpellier, France
⨯
Olivier Cala,

Affiliation Institut des Sciences Analytiques, CNRS UMR 5280, Université de Lyon, Villeurbanne, France
⨯
Isabelle Krimm

* E-mail: isabelle.krimm@univ-lyon1.fr

Affiliation Institut des Sciences Analytiques, CNRS UMR 5280, Université de Lyon, Villeurbanne, France
⨯

Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5

Clémentine Aguirre,
Tim ten Brink,
Jean-François Guichou,
Olivier Cala,
Isabelle Krimm

Published: July 15, 2014
https://doi.org/10.1371/journal.pone.0102300

About the Authors

Clémentine Aguirre

Contributed equally to this work with: Clémentine Aguirre, Tim ten Brink

Affiliation Institut des Sciences Analytiques, CNRS UMR 5280, Université de Lyon, Villeurbanne, France

Tim ten Brink

Contributed equally to this work with: Clémentine Aguirre, Tim ten Brink

Affiliation Institut des Sciences Analytiques, CNRS UMR 5280, Université de Lyon, Villeurbanne, France

Jean-François Guichou

Affiliation Centre de Biochimie Structurale, INSERM U1054, CNRS UMR5048, Université Montpellier 1 et 2, Montpellier, France

Olivier Cala

Affiliation Institut des Sciences Analytiques, CNRS UMR 5280, Université de Lyon, Villeurbanne, France

Isabelle Krimm

* E-mail: isabelle.krimm@univ-lyon1.fr

Affiliation Institut des Sciences Analytiques, CNRS UMR 5280, Université de Lyon, Villeurbanne, France

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: IK. Performed the experiments: CA OC JG TT. Analyzed the data: JG CA IK OC TT. Contributed to the writing of the manuscript: IK.

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Protons
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Crystal structure
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Binding analysis
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Protein structure
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Protein structure comparison
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Protein interactions
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Atoms
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NMR spectroscopy
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