X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease S Günther, PYA Reinke, Y Fernández-García, J Lieske, TJ Lane, HM Ginn, ... Science 372 (6542), 642-646, 2021 | 329 | 2021 |
Identification of inhibitors of SARS-CoV-2 3CL-pro enzymatic activity using a small molecule in vitro repurposing screen M Kuzikov, E Costanzi, J Reinshagen, F Esposito, L Vangeel, M Wolf, ... ACS pharmacology & translational science 4 (3), 1096-1110, 2021 | 134 | 2021 |
Targeting CYP2J to reduce paclitaxel-induced peripheral neuropathic pain M Sisignano, C Angioni, CK Park, S Meyer Dos Santos, H Jordan, ... Proceedings of the National Academy of Sciences 113 (44), 12544-12549, 2016 | 93 | 2016 |
Structural and biochemical analysis of the dual inhibition of MG-132 against SARS-CoV-2 main protease (Mpro/3CLpro) and human cathepsin-L E Costanzi, M Kuzikov, F Esposito, S Albani, N Demitri, B Giabbai, ... International journal of molecular sciences 22 (21), 11779, 2021 | 77 | 2021 |
Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collection B Ellinger, D Bojkova, A Zaliani, J Cinatl, C Claussen, S Westhaus, ... | 71 | 2020 |
A SARS-CoV-2 cytopathicity dataset generated by high-content screening of a large drug repurposing collection B Ellinger, D Bojkova, A Zaliani, J Cinatl, C Claussen, S Westhaus, ... Scientific data 8 (1), 70, 2021 | 69 | 2021 |
Profiling of flavonol derivatives for the development of antitrypanosomatidic drugs C Borsari, R Luciani, C Pozzi, I Poehner, S Henrich, M Trande, ... Journal of medicinal chemistry 59 (16), 7598-7616, 2016 | 57 | 2016 |
Chroman-4-one derivatives targeting pteridine reductase 1 and showing anti-parasitic activity F Di Pisa, G Landi, L Dello Iacono, C Pozzi, C Borsari, S Ferrari, ... Molecules 22 (3), 426, 2017 | 55 | 2017 |
A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics J Gossen, S Albani, A Hanke, BP Joseph, C Bergh, M Kuzikov, E Costanzi, ... ACS pharmacology & translational science 4 (3), 1079-1095, 2021 | 50 | 2021 |
Aryl thiosemicarbazones for the treatment of trypanosomatidic infections P Linciano, CB Moraes, LM Alcantara, CH Franco, B Pascoalino, ... European Journal of Medicinal Chemistry 146, 423-434, 2018 | 42 | 2018 |
Crassiflorone derivatives that inhibit Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (TbGAPDH) and Trypanosoma cruzi trypanothione reductase (TcTR) and display … E Uliassi, G Fiorani, RL Krauth-Siegel, C Bergamini, R Fato, G Bianchini, ... European Journal of Medicinal Chemistry 141, 138-148, 2017 | 37 | 2017 |
Enhancement of benzothiazoles as pteridine reductase-1 inhibitors for the treatment of trypanosomatidic infections P Linciano, C Pozzi, LD Iacono, F di Pisa, G Landi, A Bonucci, S Gul, ... Journal of Medicinal Chemistry 62 (8), 3989-4012, 2019 | 33 | 2019 |
Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery P Linciano, A Dawson, I Pöhner, DM Costa, MS Sá, A Cordeiro-da-Silva, ... ACS omega 2 (9), 5666-5683, 2017 | 33 | 2017 |
Methoxylated 2'-hydroxychalcones as antiparasitic hit compounds C Borsari, N Santarem, J Torrado, AI Olías, MJ Corral, C Baptista, S Gul, ... European Journal of Medicinal Chemistry 126, 1129-1135, 2017 | 30 | 2017 |
Discovery of a benzothiophene-flavonol halting miltefosine and antimonial drug resistance in Leishmania parasites through the application of medicinal chemistry, screening and … C Borsari, MD Jiménez-Antón, J Eick, E Bifeld, JJ Torrado, ... European Journal of Medicinal Chemistry 183, 111676, 2019 | 26 | 2019 |
Cytopathic SARS-CoV-2 screening on VERO-E6 cells in a large-scale repurposing effort A Zaliani, L Vangeel, J Reinshagen, D Iaconis, M Kuzikov, O Keminer, ... Scientific data 9 (1), 405, 2022 | 25 | 2022 |
Discovery of protein-protein interaction inhibitors by integrating protein engineering and chemical screening platforms T Maculins, J Garcia-Pardo, A Skenderovic, J Gebel, M Putyrski, ... Cell Chemical Biology 27 (11), 1441-1451. e7, 2020 | 24 | 2020 |
Accelerating drug discovery efforts for trypanosomatidic infections using an integrated transnational academic drug discovery platform CB Moraes, G Witt, M Kuzikov, B Ellinger, T Calogeropoulou, KC Prousis, ... SLAS DISCOVERY: Advancing Life Sciences R&D 24 (3), 346-361, 2019 | 24 | 2019 |
Identification of small-molecule frequent hitters of glutathione S-transferase–glutathione interaction JK Brenke, ES Salmina, L Ringelstetter, S Dornauer, M Kuzikov, ... Journal of Biomolecular Screening 21 (6), 596-607, 2016 | 23 | 2016 |
Identification of approved drugs as potent inhibitors of pregnane X receptor activation with differential receptor interaction profiles O Burk, M Kuzikov, T Kronenberger, J Jeske, O Keminer, WE Thasler, ... Archives of Toxicology 92, 1435-1451, 2018 | 20 | 2018 |