Overall Objectives
Research Program
Application Domains
Highlights of the Year
New Software and Platforms
New Results
Partnerships and Cooperations
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Section: Partnerships and Cooperations

Regional Initiatives


Participants : Marie-Dominique Devignes [contact person] , David Ritchie.

Project title: Innovations Technologiques, Modélisation et Médecine Personnalisée; PI: Faiez Zannad, Univ Lorraine (Inserm-CHU-UL). Value: 14.4 M€ (“SMEC” platform – Simulation, Modélisation, Extraction de Connaissances – coordinated by Capsid and Orpailleur teams for Inria Nancy – Grand Est, with IECL and CHRU Nancy: 860 k€, approx); Duration: 2015–2020. Description: The IT2MP project emcompasses four interdisciplinary platforms that support several scientific pôles of the university whose research involves human health. The SMEC platform supports research projects ranging from molecular modeling and dynamical simulation to biological data mining and patient cohort studies.


Participants : Marie-Dominique Devignes [contact person] , Isaure Chauvot de Beauchêne, Bernard Maigret, Philippe Noël, David Ritchie.

Project title: Conception d’Inhibiteurs du Transfert de Résistances aux agents Anti-Microbiens: bio-ingénierie assistée par des approches virtuelles et numériques, et appliquée à une relaxase d’élément conjugatif intégratif; PI: N. Leblond, Univ Lorraine (DynAMic, UMR 1128); Other partners: Chris Chipot, CNRS (SRSMSC, UMR 7565); Value: 200 k€ (Capsid: 80 k€); Duration: 2017–2018. Description: This project follows on from the 2016 PEPS project “MODEL-ICE”. The aim is to investigate protein-protein interactions required for initiating the transfer of an ICE (Integrated Conjugative Element) from one bacterial cell to another one, and to develop small-molecule inhibitors of these interactions.

PEPS – DynaCriGalT

Participants : Isaure Chauvot de Beauchêne [contact person] , Bernard Maigret, David Ritchie.

Project title: Criblage virtuel et dynamique moléculaire pour la recherche de bio-actifs ciblant la β4GalT7, une enzyme de biosynthèse des glycosaminoglycanes; PI: I. Chauvot de Beauchêne, Capsid (Inria Nancy – Grand Est); Partners: Sylvie Fournel-Gigleux, INSERM (IMoPA, UMR 7365); Value: 15 k€; Duration: 2017–2018. Description: The β4GalT7 glycosyltransferase initiates the biosynthesis of glycosaminoglycans (GAGs), and is a therapeutical target for small molecules which might correct a defect in the synthesis and degradation of GAGs in rare genetic diseases. Classical approaches to propose active molecules have failed for this target. The DynaCriGalT project combines molecular dynamics modelling of the GAG active site with virtual screening in order to propose a diverse set of small molecules for in vitro compound testing.


Participant : Isaure Chauvot de Beauchêne [contact person] .

Project title: Identification et modélisation des interactions nécessaires à l'activité du long ARN non-codant ANRIL dans la régulation épigénétique des gènes; PI: Sylvain Maenner, Univ Lorraine (IMoPA, UMR 7365); Value: 20 k€; Duration: 2017–2018. Description: ANRIL is a long non-coding RNA (lncRNA) which has been identified as an important factor in the susceptibility cardiovascular diseases. ANRIL is involved in the epigenetic regulation of the expression of a network of genes via mechanisms that are still largely unknown. This project aims to identify and model the protein-RNA and/or DNA-RNA interactions that ANRIL establishes within the eukaryotic genome.