Personnel de l'université
Jean-Yves LE QUESTEL
Professeur de chimie à l'UFR des Sciences et des Techniques / Membre de l'équipe "Modélisation Et Spectroscopie" (ModES) de l'UMR CEISAMCoordonnées
2, rue de la Houssinière BP 92208 44322 Nantes Cedex 3
- Tél
- 0251125563 (n° interne : 455563)
- Jean-Yves.Le-Questel@univ-nantes.fr
Discipline(s) enseignée(s)
Thèmes de recherche
Informations complémentaires
- Modélisation Moléculaire (M1 et M2)
- Techniques physicochimiques d'analyse (L3 et M1)
- Interactions moléculaires et biomoléculaires (M1 et M2)
- Etudes expérimentales et théoriques d'interactions par liaison Hydrogène
- Elucidation de la structure et des propriétés de ligands d'intérêt biologique
- Interactions protéines-ligands
Publications significatives récentes
- Bruno Linclau,* Zhong Wang, Benjamin Jeffries, Florent Peron, Jerome Graton, Rodrigo J. Carbajo, Davy Sinnaeve, Jean-Yves Le Questel, James S. Scott, Elisabetta Chiarparin. Direct measurement of conformer-specific lipophilicities: new opportunities in drug discovery. Angew. Chem. Int. Ed., 2022, 61, e202114862.
- Alison Cartereau, Emiliane Taillebois, Jean-Yves Le Questel* and Steeve H. Thany *. Mode of Action of Neonicotinoid Insecticides Imidacloprid and Thiacloprid to the Cockroach Pameα7 Nicotinic Acetylcholine Receptor. Int. J. Mol. Sci., 22, 2021, 9880.
- Lu Liu, Seyfeddine Rahali, Rémi Maurice, Cecilia Gomez Pech, Gilles Montavon, Jean-Yves Le Questel, Jérôme Graton, Julie Champion* and Nicolas Galland *. An expanded halogen bonding scale using astatine. Chem. Sci., 12, 2021, 10855-10861
- Benjamin Jeffries, Zhong Wang, Hannah R. Felstead, Jean-Yves Le Questel, James S. Scott,Elisabetta Chiarparin, Jérôme Graton,* and Bruno Linclau.* Systematic Investigation of Lipophilicity Modulation by Aliphatic Fluorination Motifs.J. Med. Chem., 63, 2020, 1002−1031.
- Zakaria Alamiddine, Balaji Selvam, Jérôme Graton, Adèle D. Laurent, Elodie Landagaray, Jacques Lebreton, Monique Mathé-Allainmat, Steeve Thany, and Jean-Yves Le Questel*. Binding of sulfoxaflor to Aplysia californica-AChBP : computational insights from multiscale approaches J. Chem. Inf. Model., 59, 2019, 3755–3769.
- Zakaria Alamiddine, Jérôme Graton,* Steeve Thany, and Jean-Yves Le Questel*. Conformations and binding properties of Thiametoxam and Clothianidin neonicotinoid insecticides to nicotinic acetylcholine receptors: the contribution of sigma-hole interactions. ChemPhysChem, 19, 2018, 3069 –3083.
- Jérôme. Graton,* Guillaume Compain, François Besseau, Eléna Bogdan, J. M. Watts, L. Mtashobya, Z. Wang, A. Weymouth-Wilson, Nicolas Galland, Jean-Yves Le Questel,* Bruno Linclau.* Influence of Alcohol β-Fluorination on Hydrogen-Bond Acidity of Conformationally Flexible Substrates. Chem. Eur. J., 23 (32), 2017, 2811-2819.
- Eléna Bogdan,* Alexandre Quarré de Verneuil, François Besseau, Guillaume Compain, Bruno Linclau, Jean-Yves Le Questel and Jérôme Graton* Hydrogen-bond acidity modulation of a-fluoro-o-cresols by intramolecular hydrogen-bonding.Chem. Phys. Chem., 17, 2016, 2702-2709.
- Z. Alamiddine, B. Selvam, J. P. Ceron-Carrasco, M. Mathé-Allainmat, J. Lebreton, S. H. Thany, A. D. Laurent, J. Graton & J.-Y. Le Questel. Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation J. Comput. Aided Mol. Des., 2015, 29, 1151.
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B. Selvam, J. Graton, A. D. Laurent, Z. Alamiddine, M. Mathé-Allainmat, J. Lebreton, O. Coqueret, C. Olivier, S. H. Thany & J.-Y. Le Questel. Imidacloprid and Thiacloprid Neonicotinoids bind more favorably to cockroach than to honeybee a6 nicotinic acetylcholine receptor: insights from computational studies.
J. Mol. Graph. Model. 2015, 55, 1. -
J. Graton, Z. Wang, A.-M. Brossard, D. Gonçalves Monteiro, J.-Y. Le Questel & B. Linclau. An Unexpected and Significantly Lower Hydrogen-Bond-Donating Capacity of Fluorohydrins Compared to Nonfluorinated Alcohols. Angew. Chem. Int. Ed, 2012, 51, 6776.
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C. Laurence, K. A. Brameld, J. Graton, J.-Y. Le Questel, E. Renault. The pK(BHX) Database: Toward a Better Understanding of Hydrogen-Bond Basicity for Medicinal Chemists. J. Med. Chem., 2009, 52, 4073. (Article de perspective)
