| The antitumor histone deacetylase inhibitor suberoylanilide hydroxamic acid exhibits antiinflammatory properties via suppression of cytokines F Leoni, A Zaliani, G Bertolini, G Porro, P Pagani, P Pozzi, G Donà, ... Proceedings of the National Academy of Sciences 99 (5), 2995-3000, 2002 | 612 | 2002 |
| On the art of compiling and using'drug-like'chemical fragment spaces J Degen, C Wegscheid-Gerlach, A Zaliani, M Rarey ChemMedChem 3 (10), 1503, 2008 | 363 | 2008 |
| 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 | 271 | 2021 |
| MS-WHIM scores for amino acids: a new 3D-description for peptide QSAR and QSPR studies A Zaliani, E Gancia Journal of chemical information and computer sciences 39 (3), 525-533, 1999 | 209 | 1999 |
| A novel glucokinase activator modulates pancreatic islet and hepatocyte function AM Efanov, DG Barrett, MB Brenner, SL Briggs, A Delaunois, JD Durbin, ... Endocrinology 146 (9), 3696-3701, 2005 | 186 | 2005 |
| MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroids G Bravi, E Gancia, P Mascagni, M Pegna, R Todeschini, A Zaliani Journal of computer-aided molecular design 11, 79-92, 1997 | 179 | 1997 |
| The blood-brain barrier is dysregulated in COVID-19 and serves as a CNS entry route for SARS-CoV-2 S Krasemann, U Haferkamp, S Pfefferle, MS Woo, F Heinrich, ... Stem cell reports 17 (2), 307-320, 2022 | 176 | 2022 |
| ErG: 2D pharmacophore descriptions for scaffold hopping N Stiefl, IA Watson, K Baumann, A Zaliani Journal of chemical information and modeling 46 (1), 208-220, 2006 | 134 | 2006 |
| Mycobacterium tuberculosis Chaperonin 10 Stimulates Bone Resorption: A Potential Contributory Factor in Pott's Disease S Meghji, PA White, SP Nair, K Reddi, K Heron, B Henderson, A Zaliani, ... The Journal of experimental medicine 186 (8), 1241-1246, 1997 | 116 | 1997 |
| 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 | 110 | 2021 |
| A new rational hypothesis for the pharmacophore of the active metabolite of leflunomide, a potent immunosuppressive drug G Bertolini, M Aquino, M Biffi, G d'Atri, F Di Pierro, F Ferrario, P Mascagni, ... Journal of medicinal chemistry 40 (13), 2011-2016, 1997 | 103 | 1997 |
| 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, ... | 68 | 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 | 62 | 2021 |
| 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 | 54 | 2021 |
| 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 | 45 | 2021 |
| Second-generation de novo design: a view from a medicinal chemist perspective A Zaliani, K Boda, T Seidel, A Herwig, CH Schwab, J Gasteiger, ... Journal of computer-aided molecular design 23, 593-602, 2009 | 45 | 2009 |
| Natural compounds inhibit SARS-CoV-2 nsp13 unwinding and ATPase enzyme activities A Corona, K Wycisk, C Talarico, C Manelfi, J Milia, R Cannalire, ... ACS pharmacology & translational science 5 (4), 226-239, 2022 | 44 | 2022 |
| Novel nanomolar imidazo [4, 5-b] pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights U Grädler, T Fuchß, WR Ulrich, R Boer, A Strub, C Hesslinger, C Anézo, ... Bioorganic & Medicinal Chemistry Letters 21 (14), 4228-4232, 2011 | 39 | 2011 |
| Synthesis and biological evaluation of novel (4 or 5-aryl) pyrazolyl-indoles as inhibitors of interleukin-2 inducible T-cell kinase (ITK) AD Velankar, G Quintini, A Prabhu, A Weber, G Hunaeus, B Voland, ... Bioorganic & medicinal chemistry 18 (12), 4547-4559, 2010 | 38 | 2010 |
| Global 3D-QSAR methods: MS-WHIM and autocorrelation E Gancia, G Bravi, P Mascagni, A Zaliani Journal of Computer-Aided Molecular Design 14, 293-306, 2000 | 38 | 2000 |
