ModES: Molecular interactions and ligands of biological interest

Members involved: Anais Goupille (AI), Jérôme Graton (MC), Adèle Laurent (CR) Jean-Yves Le Questel (PR), Néha Tripathi (Post-doctorante).


Within the framework of this theme, our work is mainly devoted to the study of non-covalent molecular interactions, in particular hydrogen-bond (H-bond) interactions by approaches combining experimental observations and theoretical studies on systems of growing molecular size and complexity. Quantitative studies are thus carried out on simple organic molecules (axis 1), making it possible to probe in a very fine manner various effects, in particular the influence of the intramolecular environment of an H-bond acceptor / donor site, on the characteristics of the interactions established.

A second theme, based on the implementation of similar approaches, is devoted to determining the influence of the fluorination of organic compounds on their properties (interaction potential, lipophilicity). A third axis focuses on elucidating the interactions of competitive modulators of nicotinic insect receptors (neonicotinoid insecticides and their latest derivatives) with their target. The last theme, dedicated to protein-protein interactions, based on numerous collaborations, aims in particular to rationally design modulators (activators, inhibitors) of the targeted receptors.


  • Sophie Brouard (Université de Nantes) Centre de Recherche en Transplantation et Immunologie de Nantes, Équipe 4 : Immunoregulation and Immunointerventions in Trans-plantation and Autoimmunity. (link)
  • Fabrice Fleury (Université de Nantes) Unité Fonctionnalité et ingénierie des Protéines (UFIP) UMR 6286, équipe Mécanisme et régulation de la réparation de l’ADN. (link)
  • Jacques Lebreton (Université de Nantes), CEISAM, SYMBIOSE team.
  • Bruno Linclau (Southampton University) (link)
  • Steeve  Thany (Université d’Orléans), Laboratoire de Biologie des Ligneux et des Grandes Cultures, UPRES EA 1207 (link)
  • Daniel Vercauteren & Laurence Leherte (université de Namur) Unité de chimie physique théorique et structurale, Laboratoire de chimie théorique (link)