| 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 | 58 | 2021 |
| 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 | 53 | 2020 |
| 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 | 39 | 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 | 26 | 2022 |
| 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 | 23 | 2021 |
| 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 | 20 | 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 | 19 | 2022 |
| 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 | 13 | 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 | 12 | 2023 |
| 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 | 11 | 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 | 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 | 7 | 2023 |
| DeLA-DrugSelf: Empowering multi-objective de novo design through SELFIES molecular representation D Alberga, G Lamanna, G Graziano, P Delre, MC Lomuscio, N Corriero, ... Computers in Biology and Medicine 175, 108486, 2024 | 6 | 2024 |
| DypB peroxidase for aflatoxin removal: New insights into the toxin degradation process V Mangini, E Rosini, R Caliandro, GF Mangiatordi, P Delre, ... Chemosphere 349, 140826, 2024 | 6 | 2024 |
| 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 | 4 | 2023 |
| Development of Fluorescent 4-[4-(3H-Spiro[isobenzofuran-1,4′-piperidin]-1′-yl)butyl]indolyl Derivatives as High-Affinity Probes to Enable the Study of σ … FS Abatematteo, M Majellaro, B Montsch, R Prieto-Díaz, M Niso, ... Journal of Medicinal Chemistry 66 (6), 3798-3817, 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 | 4 | 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 | 4 | 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 | 3 | 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 | 3 | 2023 |
