Muriel Gelin
ABCIS: Atelier de Bio & Chimie Informatique Structurale
04 67 41 77 12
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Liste des publications
2023
Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration
Fnaiche A, Chan HC, Paquin A, Gonzalez Suarez N, Vu V, Li F, Allali-Hassani A, Cao MA, Szewczyk MM, Bolotokova A, Allemand F, Gelin M, Barsyte-Lovejoy D, Santhakumar V, Vedadi M, Guichou JF, Annabi B, Gagnon A, ACS Med Chem Lett, 2023
wTSA-CRAFT: an open-access web server for rapid analysis of thermal shift assay experiments
Reys V, Kowalewski J, Gelin M, Lionne C, Bioinform Adv, 2023
Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings
Fnaiche A, Melin L, Suarez NG, Paquin A, Vu V, Li F, Allali-Hassani A, Bolotokova A, Allemand F, Gelin M, Cotelle P, Woo S, LaPlante SR, Barsyte-Lovejoy D, Santhakumar V, Vedadi M, Guichou JF, Annabi B, Gagnon A, Bioorg Med Chem Lett, 2023
Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMPDHs
Gedeon A, Ayoub N, Brule S, Raynal B, Karimova G, Gelin M, Mechaly A, Haouz A, Labesse G, Munier-Lehmann H, Protein Sci, 2023
2022
Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria
Clement DA, Gelin M, Leseigneur C, Huteau V, Mondange L, Pons JL, Dussurget O, Lionne C, Labesse G, Pochet S, Eur J Med Chem, 2022
Structure-based design, synthesis and biological evaluation of a NAD+analogue targeting Pseudomonas aeruginosa NAD kinase
Rahimova R, Nogaret P, Huteau V, Gelin M, Clement DA, Labesse G, Pochet S, Blanc-Potard AB, Lionne C, FEBS J, 2022
Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation
Mary C, Soflaee MH, Kesavan R, Gelin M, Brown H, Zacharias G, Mathews TP, Lemoff A, Lionne C, Labesse G, Hoxhaj G, Mol Cell, 2022
Toward the Design of Ligands Selective for the C-Terminal Domain of TEADs
Liberelle M, Toulotte F, Renault N, Gelin M, Allemand F, Melnyk P, Guichou JF, Cotelle P, J Med Chem, 2022
2021
Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding
Schneider M, Delfosse V, Gelin M, Grimaldi M, Granell M, Heriaud L, Pons JL, Cohen Gonsaud M, Balaguer P, Bourguet W, Labesse G, J Med Chem, 2021
Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors
Sturbaut M, Bailly F, Coevoet M, Sileo P, Pugniere M, Liberelle M, Magnez R, Thuru X, Chartier-Harlin MC, Melnyk P, Gelin M, Allemand F, Guichou JF, Cotelle P, Eur J Med Chem, 2021
2020
New Chemical Probe Targeting Bacterial NAD Kinase
Clement DA, Leseigneur C, Gelin M, Coelho D, Huteau V, Lionne C, Labesse G, Dussurget O, Pochet S, Molecules, 2020
From substrate to fragments to inhibitor active in vivo against Staphylococcus aureus
Gelin M, Paoletti J, Nahori MA, Huteau V, Leseigneur C, Jouvion G, Dugue L, Clement D, Pons JL, Assairi L, Pochet S, Labesse G, Dussurget O, ACS Infect Dis, 2020
2019
Small-molecule inhibitors of cyclophilins block opening of the mitochondrial permeability transition pore and protect mice from hepatic ischemia-reperfusion injury
Panel M, Ruiz I, Brillet R, Lafdil F, Teixeira-Clerc F, Nguyen CT, Calderaro J, Gelin M, Allemand F, Guichou JF, Ghaleh B, Ahmed-Belkacem A, Morin D, Pawlotsky JM, Gastroenterology, 2019
First-in-class allosteric inhibitors of bacterial IMPDHs
Alexandre T, Lupan A, Helynck O, Vichier-Guerre S, Dugue L, Gelin M, Haouz A, Labesse G, Munier-Lehmann H, Eur J Med Chem, 2019
2018
Characterization of the anti-hepatitis C virus activity of new non-peptidic small-molecule cyclophilin inhibitors with a potential for broad anti-
Nevers Q, Ruiz I, Ahnou N, Donati F, Brillet R, Softic L, Chazal M, Jouvenet N, Fourati S, Baudesson C, Bruscella P, Gelin M, Guichou JF, Pawlotsky JM, Ahmed-Belkacem A, Antimicrob Agents Chemother, 2018
Dimerization of the Pragmin Pseudo-Kinase Regulates Protein Tyrosine Phosphorylation
Lecointre C, Simon V, Kerneur C, Allemand F, Fournet A, Montarras I, Pons JL, Gelin M, Brignatz C, Urbach S, Labesse G, Roche S, Structure, 2018
2016
8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode
Paoletti J, Assairi L, Gelin M, Huteau V, Nahori MA, Dussurget O, Labesse G, Pochet S, Eur J Med Chem, 2016
Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities
Ahmed-Belkacem A, Colliandre L, Ahnou N, Nevers Q, Gelin M, Bessin Y, Brillet R, Cala O, Douguet D, Bourguet W, Krimm I, Pawlotsky JM, Guichou JF, Nat Commun, 2016
2015
Crystallographic studies of two variants of Pseudomonas aeruginosa IMPDH with impaired allosteric regulation
Labesse G, Alexandre T, Gelin M, Haouz A, Munier-Lehmann H, Acta Crystallogr D Biol Crystallogr, 2015
Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography
Gelin M, Delfosse V, Allemand F, Hoh F, Sallaz-Damaz Y, Pirocchi M, Bourguet W, Ferrer JL, Labesse G, Guichou JF, Acta Crystallogr D Biol Crystallogr, 2015