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
El Mehdi KARIM
Post-doc CNRS
David ARANDA
Post-doc INSERM
Paul MEDOUT-MARERE
IE INSERM
Juliette DIMON
IE INSERM
Tolith DERRICK GIDAGA
PhD 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. (2023) Commun. Chem., 6(1), 160.
• Otun O., et al. (2024) PNAS, 121(30), e2404000121.
• Dumazer A., et al. (2025) Biochemical Pharmacology, 117065.

Funding

2024-2027 ANR-23-CE44-0043-03
2025-2029 ANR-24-RRII-0005
2026-2027 I-SITE RELAX-PRO
2026-2028 FRM-SPF202509050524
2026-2028 Inca_20069

Collaborations

• Andrew C. Kruse (Boston)
• Christoph Arenz (Berlin)
• Dominique Bonnet (Illkirch-Graffenstaden)
• Cyril Rivat (Montpellier)
• Eric Reiter (Tours)
• Frederic Jean-Alphonse (Tours)
• Marie Galloux (Jouy-en-Josas)
• Jean-Marie Bourhis (Grenoble)
• Marc Jamin (Grenoble)
• Bruno Canard (Grenoble)
• Jean-Marc Pascussi (Montpellier)
• Max Renner (Umea)