Molecular docking: shifting paradigms in drug discovery L Pinzi, G Rastelli International journal of molecular sciences 20 (18), 4331, 2019 | 1377 | 2019 |
On the Integration of In Silico Drug Design Methods for Drug Repurposing E March-Vila, L Pinzi, N Sturm, A Tinivella, O Engkvist, H Chen, G Rastelli Frontiers in pharmacology 8, 298, 2017 | 193 | 2017 |
Computational polypharmacology comes of age G Rastelli, L Pinzi Frontiers in pharmacology 6, 156476, 2015 | 66 | 2015 |
Hydroxamic acid derivatives: From synthetic strategies to medicinal chemistry applications A Citarella, D Moi, L Pinzi, D Bonanni, G Rastelli ACS omega 6 (34), 21843-21849, 2021 | 57 | 2021 |
Refinement and rescoring of virtual screening results G Rastelli, L Pinzi Frontiers in chemistry 7, 498, 2019 | 54 | 2019 |
Repositioning natural products in drug discovery G Rastelli, F Pellati, L Pinzi, MC Gamberini Molecules 25 (5), 1154, 2020 | 37 | 2020 |
Drug repurposing and polypharmacology to fight SARS-CoV-2 through inhibition of the main protease L Pinzi, A Tinivella, F Caporuscio, G Rastelli Frontiers in pharmacology 12, 636989, 2021 | 33 | 2021 |
Antifungal Activity and DNA Topoisomerase Inhibition of Hydrolysable Tannins from Punica granatum L. V Brighenti, R Iseppi, L Pinzi, A Mincuzzi, A Ippolito, P Messi, SM Sanzani, ... International Journal of Molecular Sciences 22 (8), 4175, 2021 | 30 | 2021 |
Design of dual inhibitors of histone deacetylase 6 and heat shock protein 90 L Pinzi, R Benedetti, L Altucci, G Rastelli ACS omega 5 (20), 11473-11480, 2020 | 30 | 2020 |
Structure–Activity Relationships of Hexahydrocyclopenta[c]quinoline Derivatives as Allosteric Inhibitors of CDK2 and EGFR L Carlino, MS Christodoulou, V Restelli, F Caporuscio, F Foschi, ... ChemMedChem 13 (24), 2627-2634, 2018 | 26 | 2018 |
Selection of protein conformations for structure-based polypharmacology studies L Pinzi, F Caporuscio, G Rastelli Drug Discovery Today 23 (11), 1889-1896, 2018 | 25 | 2018 |
In silico repositioning of cannabigerol as a novel inhibitor of the enoyl acyl carrier protein (ACP) reductase (INHA) L Pinzi, C Lherbet, M Baltas, F Pellati, G Rastelli Molecules 24 (14), 2567, 2019 | 23 | 2019 |
Identification of small-molecule EGFR allosteric inhibitors by high-throughput docking F Caporuscio, A Tinivella, V Restelli, MS Semrau, L Pinzi, P Storici, ... Future Medicinal Chemistry 10 (13), 1545-1553, 2018 | 21 | 2018 |
Heat shock protein 90 and serine/threonine kinase B-Raf inhibitors have overlapping chemical space A Anighoro, L Pinzi, G Marverti, J Bajorath, G Rastelli RSC advances 7 (49), 31069-31074, 2017 | 19 | 2017 |
Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models A Tinivella, L Pinzi, G Rastelli Journal of Cheminformatics 13, 1-15, 2021 | 17 | 2021 |
Promising non-cytotoxic monosubstituted chalcones to target monoamine oxidase-B LG Iacovino, L Pinzi, G Facchetti, B Bortolini, MS Christodoulou, C Binda, ... ACS Medicinal Chemistry Letters 12 (7), 1151-1158, 2021 | 17 | 2021 |
Identification of target associations for polypharmacology from analysis of crystallographic ligands of the Protein Data Bank L Pinzi, G Rastelli Journal of Chemical Information and Modeling 60 (1), 372-390, 2019 | 17 | 2019 |
LigAdvisor: a versatile and user-friendly web-platform for drug design L Pinzi, A Tinivella, L Gagliardelli, D Beneventano, G Rastelli Nucleic Acids Research 49 (W1), W326-W335, 2021 | 16 | 2021 |
Investigation of the effect of different linker chemotypes on the inhibition of histone deacetylases (HDACs) P Linciano, R Benedetti, L Pinzi, F Russo, U Chianese, C Sorbi, L Altucci, ... Bioorganic Chemistry 106, 104462, 2021 | 16 | 2021 |
Dual targeting strategies on histone deacetylase 6 (HDAC6) and heat shock protein 90 (Hsp90) D Bonanni, A Citarella, D Moi, L Pinzi, E Bergamini, G Rastelli Current Medicinal Chemistry 29 (9), 1474-1502, 2022 | 14 | 2022 |