Isabelle KRIMM

Doctor
work phone: 0437423544

Research

Analysis of protein-ligand interactions by NMR. NMR methods for the screening and the identification of protein ligands. NMR methods for the structural characterization of protein-ligand and protein-fragment complexes. Fragment-based screening, development of fragment libraries. Fragment-based approaches for the design of bioactive compounds in chemical biology and drug discovery.

Biography

Isabelle Krimm is a research scientist at the France’s national scientific research centre (CNRS) since 2002. She received a Ph.D. in structural biology from the University of Lyon in 2000 and won the Young Researcher Award of Lyon the same year. From 2000-2002, Isabelle studied lamin proteins by heteronuclear NMR at the Commissariat à l’Energie Atomique (CEA) in Saclay. In 2002, she became researcher at the Institute of Analytical Sciences where she was involved in the determination of protein 3D structures by NMR. Subsequently, Isabelle started working on new projects related to the analysis of protein-ligand interactions, with a particular interest for fragment-based approaches for drug discovery, and created an NMR screening platform as well as her own fragment library. She was involved in two ANR projects and was in charge of more than 15 industrial collaborations related to protein-ligand analysis by NMR. In 2011, she obtained a Young Researcher ANR Grant for the project PLUS, to use protein chemical shits for the fast generation of protein-ligand 3D structures. She was the co-supervisor or the supervisor of 5 Ph.D students and 12 M.Sc. Students, and authored 37 publications (15 as the corresponding author), including 2 book chapters, with more than 70 communications in national and international conferences.

Publications

Publications HAL de isabelle,krimm

2015

Journal articles

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Tim Ten Brink, Clémentine Aguirre, Thomas E. Exner, Isabelle Krimm. Performance of Protein–Ligand Docking with Simulated Chemical Shift Perturbations. Journal of Chemical Information and Modeling, American Chemical Society, 2015, 55 (2), pp.275-283. <10.1021/ci500446s>. <hal-01087991>
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Isabelle Krimm. Fragment-based screening: a promising avenue for drug design. médecine/sciences, EDP Sciences, 2015, 31 (2), pp.197-202. <10.1051/medsci/20153102017>. <hal-01187367>
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Jens Pilger, Adam Mazur, Peter Monecke, Herman Schreuder, Bettina Elshorst, et al.. A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles. Angewandte Chemie, Wiley-VCH Verlag, 2015, 54 (22), pp.6511-6515. <10.1002/anie.201500671>. <hal-01165216>
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Clémentine Aguirre, Olivier Cala, Isabelle Krimm. Overview of probing protein-ligand interactions using NMR. Current protocols in protein science, Wiley, 2015, 81, pp.17.18.1-17.18.24. <10.1002/0471140864.ps1718s81>. <hal-01187450>
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Olivier Cala, Isabelle Krimm. Ligand-orientation based fragment selection in STD NMR screening.. Journal of Medicinal Chemistry, American Chemical Society, 2015, 58 (21), pp.8739-8742. <10.1021/acs.jmedchem.5b01114>. <hal-01234640>
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Zsuzsanna Marton, Rémi Guillon, Isabelle Krimm, Rahila Rahimova, David Egron, et al.. Identification of noncompetitive inhibitors of cytosolic 5′-nucleotidase II using a fragment-based approach. Journal of Medicinal Chemistry, American Chemical Society, 2015, 58 (24), pp.9680-9696. <10.1021/acs.jmedchem.5b01616>. <hal-01251800>
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2014

Journal articles

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Olivier Cala, Florence Guillière, Isabelle Krimm. NMR-based analysis of protein-ligand interactions.. Analytical and Bioanalytical Chemistry, Springer Verlag, 2014, 406 (4), pp.943-956. <10.1007/s00216-013-6931-0>. <hal-00956230>
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Clémentine Aguirre, Tim Ten Brink, Jean François Guichou, Olivier Cala, Isabelle Krimm. Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5. PLoS ONE, Public Library of Science, 2014, 9 (7), pp.e102300. <10.1371/journal.pone.0102300>. <hal-01067905>
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Clémentine Aguirre, Olivier Cala, Tim Ten Brink, Jean François Guichou, Isabelle Krimm. Protein–ligand structure guided by backbone and side-chain proton chemical shift perturbations. Journal of Biomolecular NMR, Springer Verlag, 2014, 60 (2-3), pp.147-156. <10.1007/s10858-014-9864-9>. <hal-01088012>
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2013

Journal articles

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Clémentine Aguirre, Tim Ten Brink, Olivier Walker, Florence Guillière, D. Davesne, et al.. BcL-xL Conformational Changes upon Fragment Binding Revealed by NMR. PLoS ONE, Public Library of Science, 2013, 8, pp.e64400. <10.1371/journal.pone.0064400>. <in2p3-00839023>
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2012

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Isabelle Krimm, Jean-Marc Lancelin, Jean-Pierre Praly. Binding evaluation of fragment-based scaffolds for probing allosteric enzymes.. Journal of Medicinal Chemistry, American Chemical Society, 2012, 55 (3), pp.1287-95. <10.1021/jm201439b>. <hal-00691495>
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Anja Lange, Mouhamad-Baligh Ismail, Gwladys Rivière, Maggy Hologne, Denis Lacabanne, et al.. Competitive binding of UBPY and ubiquitin to the STAM2 SH3 domain revealed by NMR. FEBS Letters, Elsevier, 2012, 586 (19), pp.3379-3384. <10.1016/j.febslet.2012.07.047>. <hal-00819142>
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Isabelle Krimm. INPHARMA-based identification of ligand binding site in fragment-based drug design. MedChemComm, Royal Society of Chemistry, 2012, 3 (5), pp.605-610. <10.1039/c2md20035j>. <hal-00819132>
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Isabelle Krimm, Jean-Marc Lancelin, Jean-Pierre Praly. Binding evaluation of fragment-based scaffolds for probing allosteric enzymes. Journal of Medicinal Chemistry, American Chemical Society, 2012, 55 (3), pp.1287-1295. <http://pubs.acs.org/doi/abs/10.1021/jm201439b>. <10.1021/jm201439b >. <hal-01087963>
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2011

Journal articles

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Sarah Barelier, Isabelle Krimm. Ligand specificity, privileged substructures and protein druggability from fragment-based screening. Current Opinion in Chemical Biology, Elsevier, 2011, 15 (4), pp.469-474. <10.1016/j.cbpa.2011.02.020>. <hal-00819077>
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