Integrated strategy for lead optimization based on fragment growing: the diversity-oriented-target-focused-synthesis approach L Hoffer, YV Voitovich, B Raux, K Carrasco, C Muller, AY Fedorov, ... Journal of medicinal chemistry 61 (13), 5719-5732, 2018 | 70 | 2018 |
Fragment-based drug design: computational and experimental state of the art L Hoffer, JP Renaud, D Horvath Combinatorial chemistry & high throughput screening 14 (6), 500-520, 2011 | 54 | 2011 |
Chemistry‐driven hit‐to‐lead optimization guided by structure‐based approaches L Hoffer, C Muller, P Roche, X Morelli Molecular Informatics 37 (9-10), 1800059, 2018 | 50 | 2018 |
Pharmacological inhibition of syntenin PDZ2 domain impairs breast cancer cell activities and exosome loading with syndecan and EpCAM cargo R Leblanc, R Kashyap, K Barral, AL Egea‐Jimenez, D Kovalskyy, ... Journal of extracellular vesicles 10 (2), e12039, 2020 | 43 | 2020 |
In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE L Hoffer, JP Renaud, D Horvath Journal of chemical information and modeling 53 (4), 836-851, 2013 | 43 | 2013 |
S4MPLE–sampler for multiple protein–ligand entities: Simultaneous docking of several entities L Hoffer, D Horvath Journal of chemical information and modeling 53 (1), 88-102, 2013 | 42 | 2013 |
S4MPLE—sampler for multiple protein-ligand entities: methodology and rigid-site docking benchmarking L Hoffer, C Chira, G Marcou, A Varnek, D Horvath Molecules 20 (5), 8997-9028, 2015 | 40 | 2015 |
Discovery of nanomolar DCAF1 small molecule ligands ASM Li, S Kimani, B Wilson, M Noureldin, H González-Álvarez, A Mamai, ... Journal of Medicinal Chemistry 66 (7), 5041-5060, 2023 | 39 | 2023 |
Fr-PPIChem: An academic compound library dedicated to protein–protein interactions N Bosc, C Muller, L Hoffer, D Lagorce, S Bourg, C Derviaux, ME Gourdel, ... ACS chemical biology 15 (6), 1566-1574, 2020 | 30 | 2020 |
Synthesis and evaluation of the antibacterial activities of 13-substituted berberine derivatives H Olleik, T Yacoub, L Hoffer, SM Gnansounou, K Benhaiem-Henry, ... Antibiotics 9 (7), 381, 2020 | 29 | 2020 |
In silico molecular target prediction unveils mebendazole as a potent MAPK14 inhibitor J Ariey‐Bonnet, K Carrasco, M Le Grand, L Hoffer, S Betzi, M Feracci, ... Molecular Oncology 14 (12), 3083-3099, 2020 | 27 | 2020 |
Optimization of a fragment linking hit toward Dengue and Zika virus NS5 methyltransferases inhibitors J Hernandez, L Hoffer, B Coutard, G Quérat, P Roche, X Morelli, ... European journal of medicinal chemistry 161, 323-333, 2019 | 22 | 2019 |
CovaDOTS: In Silico Chemistry-Driven Tool to Design Covalent Inhibitors Using a Linking Strategy L Hoffer, M Saez-Ayala, D Horvath, A Varnek, X Morelli, P Roche Journal of Chemical Information and Modeling 59 (4), 1472-1485, 2019 | 15 | 2019 |
From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia M Saez-Ayala, L Hoffer, S Abel, K Ben Yaala, B Sicard, GP Andrieu, ... Nature Communications 14 (1), 3079, 2023 | 11 | 2023 |
Discovery of small-molecule inhibitors of the PTK7/β-catenin interaction targeting the Wnt signaling pathway in colorectal cancer L Ganier, S Betzi, C Derviaux, P Roche, C Dessaux, C Muller, L Hoffer, ... ACS Chemical Biology 17 (5), 1061-1072, 2022 | 9 | 2022 |
Développement et validation du logiciel S4MPLE: application au docking moléculaire et à l'optimisation de fragments assistée par ordinateur dans le cadre du fragment-based drug … L Hoffer Université de Strasbourg, 2013 | 9 | 2013 |
Fragment-based drug design targeting syntenin PDZ2 domain involved in exosomal release and tumour spread M Garcia, L Hoffer, R Leblanc, F Benmansour, M Feracci, C Derviaux, ... European Journal of Medicinal Chemistry 223, 113601, 2021 | 7 | 2021 |
CRCM5484: a BET-BDII selective compound with differential anti-leukemic drug modulation K Carrasco, C Montersino, C Derviaux, M Saez-Ayala, L Hoffer, ... Journal of Medicinal Chemistry 65 (7), 5660-5674, 2022 | 4 | 2022 |
Rational design of PDZ domain inhibitors: discovery of small organic compounds targeting PDZ domains L Hoffer, P Roche, X Morelli PDZ Mediated Interactions: Methods and Protocols, 277-289, 2021 | 4 | 2021 |
CACHE Challenge# 1: targeting the WDR domain of LRRK2, a Parkinson’s Disease associated protein F Li, S Ackloo, CH Arrowsmith, F Ban, CJ Barden, H Beck, J Beránek, ... Journal of Chemical Information and Modeling, 2024 | 3 | 2024 |