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MAbTope: A Method for Improved Epitope Mapping

Thomas Bourquard, Astrid Musnier, Vincent Puard, Shifa Tahir, Mohammed Akli Ayoub, Yann Jullian, Thomas Boulo, Nathalie Gallay, Hervé Watier, Gilles Bruneau, Eric Reiter, Pascale Crépieux and Anne Poupon
J Immunol October 15, 2018, ji1701722; DOI: https://doi.org/10.4049/jimmunol.1701722
Thomas Bourquard
*Unité de Physiologie de la Reproduction et des Comportements, Institut National de la Recherche Agronomique, Université François Rabelais-Tours, CNRS, 37380 Nouzilly, France;
†Department of Human and Molecular Genetics, Baylor College of Medicine, Houston, TX 77030;
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Astrid Musnier
*Unité de Physiologie de la Reproduction et des Comportements, Institut National de la Recherche Agronomique, Université François Rabelais-Tours, CNRS, 37380 Nouzilly, France;
‡MAbSilico Société par Actions Simplifiée, Domaine de l’Orfrasière, 37380 Nouzilly, France;
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Vincent Puard
‡MAbSilico Société par Actions Simplifiée, Domaine de l’Orfrasière, 37380 Nouzilly, France;
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Shifa Tahir
*Unité de Physiologie de la Reproduction et des Comportements, Institut National de la Recherche Agronomique, Université François Rabelais-Tours, CNRS, 37380 Nouzilly, France;
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Mohammed Akli Ayoub
*Unité de Physiologie de la Reproduction et des Comportements, Institut National de la Recherche Agronomique, Université François Rabelais-Tours, CNRS, 37380 Nouzilly, France;
§Biology Department, College of Science, United Arab Emirates University, Al Ain, United Arab Emirates;
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Yann Jullian
¶Calcul Scientifique et Modélisation Orléans Tours, l’Unité de Formation et de Recherche Sciences et Techniques, Université François-Rabelais, 37041 Tours, France; and
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Thomas Boulo
*Unité de Physiologie de la Reproduction et des Comportements, Institut National de la Recherche Agronomique, Université François Rabelais-Tours, CNRS, 37380 Nouzilly, France;
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Nathalie Gallay
*Unité de Physiologie de la Reproduction et des Comportements, Institut National de la Recherche Agronomique, Université François Rabelais-Tours, CNRS, 37380 Nouzilly, France;
‖Centre Hospitalier Régional Universitaire de Tours, Université François-Rabelais de Tours, CNRS, UMR 7292, 37041 Tours, France
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Hervé Watier
‖Centre Hospitalier Régional Universitaire de Tours, Université François-Rabelais de Tours, CNRS, UMR 7292, 37041 Tours, France
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Gilles Bruneau
*Unité de Physiologie de la Reproduction et des Comportements, Institut National de la Recherche Agronomique, Université François Rabelais-Tours, CNRS, 37380 Nouzilly, France;
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Eric Reiter
*Unité de Physiologie de la Reproduction et des Comportements, Institut National de la Recherche Agronomique, Université François Rabelais-Tours, CNRS, 37380 Nouzilly, France;
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Pascale Crépieux
*Unité de Physiologie de la Reproduction et des Comportements, Institut National de la Recherche Agronomique, Université François Rabelais-Tours, CNRS, 37380 Nouzilly, France;
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Anne Poupon
*Unité de Physiologie de la Reproduction et des Comportements, Institut National de la Recherche Agronomique, Université François Rabelais-Tours, CNRS, 37380 Nouzilly, France;
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Abstract

Abs are very efficient drugs, ∼70 of them are already approved for medical use, over 500 are in clinical development, and many more are in preclinical development. One important step in the characterization and protection of a therapeutic Ab is the determination of its cognate epitope. The gold standard is the three-dimensional structure of the Ab/Ag complex by crystallography or nuclear magnetic resonance spectroscopy. However, it remains a tedious task, and its outcome is uncertain. We have developed MAbTope, a docking-based prediction method of the epitope associated with straightforward experimental validation procedures. We show that MAbTope predicts the correct epitope for each of 129 tested examples of Ab/Ag complexes of known structure. We further validated this method through the successful determination, and experimental validation (using human embryonic kidney cells 293), of the epitopes recognized by two therapeutic Abs targeting TNF-α: certolizumab and golimumab.

Footnotes

  • This work was supported by the French National Research Agency (ANR) under the program Investissements d’Avenir Grant Agreement (LabEx MabImprove: ANR-10-LABX-53), and by ANR (Contract ANR-2011–1619 01), ARTE2, MODUPHAC, MAbSilico, and ARD 2020 Biomédicament grants from Région Centre.

  • The online version of this article contains supplemental material.

  • Received December 12, 2017.
  • Accepted September 13, 2018.
  • Copyright © 2018 by The American Association of Immunologists, Inc.
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The Journal of Immunology: 208 (11)
The Journal of Immunology
Vol. 208, Issue 11
1 Jun 2022
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MAbTope: A Method for Improved Epitope Mapping
Thomas Bourquard, Astrid Musnier, Vincent Puard, Shifa Tahir, Mohammed Akli Ayoub, Yann Jullian, Thomas Boulo, Nathalie Gallay, Hervé Watier, Gilles Bruneau, Eric Reiter, Pascale Crépieux, Anne Poupon
The Journal of Immunology October 15, 2018, ji1701722; DOI: 10.4049/jimmunol.1701722

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MAbTope: A Method for Improved Epitope Mapping
Thomas Bourquard, Astrid Musnier, Vincent Puard, Shifa Tahir, Mohammed Akli Ayoub, Yann Jullian, Thomas Boulo, Nathalie Gallay, Hervé Watier, Gilles Bruneau, Eric Reiter, Pascale Crépieux, Anne Poupon
The Journal of Immunology October 15, 2018, ji1701722; DOI: 10.4049/jimmunol.1701722
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