| Repurposing known drugs as covalent and non-covalent inhibitors of the SARS-CoV-2 papain-like protease P Delre, F Caporuscio, M Saviano, GF Mangiatordi Frontiers in chemistry 8, 594009, 2020 | 50 | 2020 |
| Structure-based prediction of hERG-related cardiotoxicity: A benchmark study TM Creanza, P Delre, N Ancona, G Lentini, M Saviano, GF Mangiatordi Journal of Chemical Information and Modeling 61 (9), 4758-4770, 2021 | 40 | 2021 |
| Cannabinoid receptor subtype 2 (CB2R) in a multitarget approach: perspective of an innovative strategy in cancer and neurodegeneration GF Mangiatordi, F Intranuovo, P Delre, FS Abatematteo, C Abate, M Niso, ... Journal of Medicinal Chemistry 63 (23), 14448-14469, 2020 | 30 | 2020 |
| DeLA-Drug: a deep learning algorithm for automated design of druglike analogues TM Creanza, G Lamanna, P Delre, M Contino, N Corriero, M Saviano, ... Journal of Chemical Information and Modeling 62 (6), 1411-1424, 2022 | 18 | 2022 |
| More is always better than one: The N-terminal domain of the spike protein as another emerging target for hampering the SARS-CoV-2 attachment to host cells S Di Gaetano, D Capasso, P Delre, L Pirone, M Saviano, E Pedone, ... International Journal of Molecular Sciences 22 (12), 6462, 2021 | 16 | 2021 |
| Radiosynthesis and characterization of [18F]BS224: a next-generation TSPO PET ligand insensitive to the rs6971 polymorphism SH Lee, N Denora, V Laquintana, GF Mangiatordi, A Lopedota, A Lopalco, ... European Journal of Nuclear Medicine and Molecular Imaging 49 (1), 110-124, 2021 | 15 | 2021 |
| Ligand-based prediction of hERG-mediated cardiotoxicity based on the integration of different machine learning techniques P Delre, GJ Lavado, G Lamanna, M Saviano, A Roncaglioni, E Benfenati, ... Frontiers in Pharmacology 13, 951083, 2022 | 8 | 2022 |
| Targeting siderophore-mediated iron uptake in M. abscessus: a new strategy to limit the virulence of non-tuberculous mycobacteria M Mori, G Stelitano, G Cazzaniga, A Gelain, A Tresoldi, M Cocorullo, ... Pharmaceutics 15 (2), 502, 2023 | 6 | 2023 |
| GENERA: a combined genetic/deep-learning algorithm for multiobjective target-oriented de novo design G Lamanna, P Delre, G Marcou, M Saviano, A Varnek, D Horvath, ... Journal of Chemical Information and Modeling 63 (16), 5107-5119, 2023 | 5 | 2023 |
| Controlling the Binding Efficiency of Surface Confined Antibodies through the Design of Mixed Self‐Assembled Monolayers L Sarcina, P Delre, G Graziano, A Stefanachi, D Blasi, RA Picca, ... Advanced Materials Interfaces 10 (12), 2300017, 2023 | 5 | 2023 |
| Development of N-(1-Adamantyl)benzamides as Novel Anti-Inflammatory Multitarget Agents Acting as Dual Modulators of the Cannabinoid CB2 Receptor and Fatty … F Intranuovo, L Brunetti, P DelRe, GF Mangiatordi, A Stefanachi, ... Journal of Medicinal Chemistry 66 (1), 235-250, 2022 | 5 | 2022 |
| Bioisosteric replacement based on 1, 2, 4-oxadiazoles in the discovery of 1H-indazole-bearing neuroprotective MAO B inhibitors M Rullo, G La Spada, DV Miniero, A Gottinger, M Catto, P Delre, ... European Journal of Medicinal Chemistry 255, 115352, 2023 | 4 | 2023 |
| N-adamantyl-anthranil amide derivatives: New selective ligands for the cannabinoid receptor subtype 2 (CB2R) G Graziano, P Delre, F Carofiglio, J Brea, A Ligresti, M Kostrzewa, ... European Journal of Medicinal Chemistry 248, 115109, 2023 | 3 | 2023 |
| Exploring the role of elongation Factor-Like 1 (EFL1) in Shwachman-Diamond syndrome through molecular dynamics P Delre, D Alberga, A Gijsbers, N Sánchez-Puig, O Nicolotti, M Saviano, ... Journal of Biomolecular Structure and Dynamics 38 (17), 5219-5229, 2020 | 3 | 2020 |
| hERG stereoselective modulation by mexiletine‐derived ureas: Molecular docking study, synthesis, and biological evaluation G Milani, R Budriesi, E Tavazzani, MM Cavalluzzi, LB Mattioli, DV Miniero, ... Archiv der Pharmazie 356 (10), 2300116, 2023 | 2 | 2023 |
| ALPACA: A machine Learning Platform for Affinity and selectivity profiling of CAnnabinoids receptors modulators P Delre, M Contino, D Alberga, M Saviano, N Corriero, GF Mangiatordi Computers in Biology and Medicine 164, 107314, 2023 | 2 | 2023 |
| A conformational rearrangement of the SARS-CoV-2 host protein sigma-1 is required for antiviral activity: insights from a combined in-silico/in-vitro approach FS Abatematteo, P Delre, I Mercurio, VV Rezelj, D Siliqi, S Beaucourt, ... Scientific Reports 13 (1), 12798, 2023 | 2 | 2023 |
| Development of Riluzole Analogs with Improved Use-Dependent Inhibition of Skeletal Muscle Sodium Channels A Farinato, MM Cavalluzzi, C Altamura, C Campanale, P Laghetti, ... ACS Medicinal Chemistry Letters 14 (7), 999-1008, 2023 | 2 | 2023 |
| Endocannabinoid Degradation Enzyme Inhibitors as Potential Antipsychotics: A Medicinal Chemistry Perspective GF Mangiatordi, MM Cavalluzzi, P Delre, G Lamanna, MC Lumuscio, ... Biomedicines 11 (2), 469, 2023 | 2 | 2023 |
| AMALPHI: A Machine Learning Platform for Predicting Drug-Induced PhospholIpidosis MC Lomuscio, C Abate, D Alberga, A Laghezza, N Corriero, NA Colabufo, ... Molecular Pharmaceutics 21 (2), 864-872, 2023 | 1 | 2023 |
