Publications


Showing entries 1 - 20 out of 221

2024


Chen Y, Seidel T, Jacob RA, Hirte S, Mazzolari A, Pedretti A et al. Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation. Journal of Chemical Information and Modeling. 2024 Jan 22;64(2):348-358. Epub 2024 Jan 3. doi: 10.1021/acs.jcim.3c01588

Battisti V, Moesslacher J, Abdelnabi R, Leyssen P, Rosales Rosas AL, Langendries L et al. Design, synthesis, and lead optimization of piperazinyl-pyrimidine analogues as potent small molecules targeting the viral capping machinery of Chikungunya virus. European Journal of Medicinal Chemistry. 2024 Jan 15;264:116010. Epub 2023. doi: 10.1016/j.ejmech.2023.116010

2023


Bampali K, Koniuszewski F, Vogel FD, Fabjan J, Andronis C, Lekka E et al. GABAA receptor-mediated seizure liabilities: a mixed-methods screening approach. Cell Biology and Toxicology. 2023 Dec;39(6):2793-2819. doi: 10.1007/s10565-023-09803-y

Gehringer M, Pape F, Méndez M, Barbie P, Unzue Lopez A, Lefranc J et al. Back in Person: Frontiers in Medicinal Chemistry 2023. ChemMedChem. 2023 Oct 4;18(19):e202300344. doi: 10.1002/cmdc.202300344

Pojtanadithee P, Hengphasatporn K, Suroengrit A, Boonyasuppayakorn S, Wilasluck P, Deetanya P et al. Identification of Promising Sulfonamide Chalcones as Inhibitors of SARS-CoV-2 3CLpro through Structure-Based Virtual Screening and Experimental Approaches. Journal of Chemical Information and Modeling. 2023 Aug 28;63:5244-5258. doi: 10.1021/acs.jcim.3c00663

Lubec J, Hussein AM, Kalaba P, Feyissa DD, Arias-Sandoval E, Cybulska-Klosowicz A et al. Low-Affinity/High-Selectivity Dopamine Transport Inhibition Sufficient to Rescue Cognitive Functions in the Aging Rat. Biomolecules. 2023 Mar 3;13(3):467. doi: 10.3390/biom13030467

Showing entries 1 - 20 out of 221