Team Sébastien GRANIER – Bernard MOUILLAC

Membrane Protein Structure and Function for Drug Discovery (MAGIC)

Project Protein and drug design

PRINCIPAL INVESTIGATORS

Cédric LEYRAT
CRCN, Inserm

Xiaojing CONG
CRCN, CNRS

IGF staff involved
Rym BEN BOUBAKER
Post-doc CNRS
Laure NANNINI
M2 UM

Our computational drug design pipeline spans from the virtual screening of large chemical libraries to the de novo design of small molecules, peptides and proteins. We integrate structural and functional data, molecular simulations and machine learning to boost efficiency and accuracy. The synergy between firsthand experimental data and computational approaches empowers us to address complex issues, such as drug side effects, and to explore novel drug targets. Our current focuses are GPCR targets and transmembrane proteins, as well as proteins involved in pneumovirus replication.

Main publications

• Healey R.D., et al. (2022) Angew Chem Int Ed Engl, 61.
• Yu Y. et al. (2022) J Biol Chem, 298, 102331.

Funding

• 2024-2027 ANR 2023-PNEUMOPEPS – Partenaire

Collaborations

• Andrew C. Kruse (Boston)
• Christoph Arenz (Berlin)
• Dominique Bonnet (Illkirch-Graffenstaden)
• Cyril Rivat (Montpellier)
• Marie Galloux (Jouy-en-Josas)
• Jean-Marie Bourhis (Grenoble)
• Marc Jamin (Grenoble)
• Ambroise Desfosses (Grenoble)
• Max Renner (Umea)