Antifungal Agents. 11. N-Substituted Derivatives of 1-[(Aryl)(4-aryl-1H-pyrrol-3-yl)methyl]-1H-imidazole: Synthesis, Anti-Candida Activity, and QSAR Studies R Di Santo, A Tafi, R Costi, M Botta, M Artico, F Corelli, M Forte, ... Journal of medicinal chemistry 48 (16), 5140-5153, 2005 | 122 | 2005 |
Structure-based design of potent aromatase inhibitors by high-throughput docking F Caporuscio, G Rastelli, C Imbriano, A Del Rio Journal of medicinal chemistry 54 (12), 4006-4017, 2011 | 114 | 2011 |
Application of a post-docking procedure based on MM-PBSA and MM-GBSA on single and multiple protein conformations M Sgobba, F Caporuscio, A Anighoro, C Portioli, G Rastelli European journal of medicinal chemistry 58, 431-440, 2012 | 87 | 2012 |
Pharmacophore modelling: a forty year old approach and its modern synergies F Caporuscio, A Tafi Current medicinal chemistry 18 (17), 2543-2553, 2011 | 81 | 2011 |
CoCoCo: a free suite of multiconformational chemical databases for high-throughput virtual screening purposes A Del Rio, AJM Barbosa, F Caporuscio, GF Mangiatordi Molecular BioSystems 6 (11), 2122-2128, 2010 | 70 | 2010 |
Structure-based design of small-molecule protein–protein interaction modulators: the story so far F Falchi, F Caporuscio, M Recanatini Future medicinal chemistry 6 (3), 343-357, 2014 | 68 | 2014 |
Discovery of multitarget antivirals acting on both the Dengue virus NS5-NS3 interaction and the host Src/Fyn kinases P Vincetti, F Caporuscio, S Kaptein, A Gioiello, V Mancino, Y Suzuki, ... Journal of medicinal chemistry 58 (12), 4964-4975, 2015 | 60 | 2015 |
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 |
Antifungal agents. 11. N-substituted derivatives of 1-[(aryl)(4-aryl-1H-pyrrol-3-yl)methyl]-1H-imidazole: synthesis, anti-Candida activity, and QSAR studies. RD Santo, A Tafi, R Costi, M Botta, M Artico, F Corelli, M Forte, ... | 41 | 2005 |
1-[(3-Aryloxy-3-aryl)propyl]-1H-imidazoles, New Imidazoles with Potent Activity against Candida albicans and Dermatophytes. Synthesis, Structure−Activity … G La Regina, FD D’Auria, A Tafi, F Piscitelli, S Olla, F Caporuscio, ... Journal of medicinal chemistry 51 (13), 3841-3855, 2008 | 36 | 2008 |
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 |
Flattened cone 2, 8, 14, 20-tetrakis (L-valinamido)[4] resorcinarene: an enantioselective allosteric receptor in the gas phase B Botta, D Subissati, A Tafi, M Botta, A Filippi, F Caporuscio, M Speranza ANGEWANDTE CHEMIE. INTERNATIONAL EDITION 45, 2717-2720, 2006 | 32 | 2006 |
Molecular dynamics simulations and classical multidimensional scaling unveil new metastable states in the conformational landscape of CDK2 P Pisani, F Caporuscio, L Carlino, G Rastelli PLoS One 11 (4), e0154066, 2016 | 31 | 2016 |
Contribution of the residue at position 4 within classical nuclear localization signals to modulating interaction with importins and nuclear targeting KM Smith, V Di Antonio, L Bellucci, DR Thomas, F Caporuscio, ... Biochimica et Biophysica Acta (BBA)-Molecular Cell Research 1865 (8), 1114-1129, 2018 | 27 | 2018 |
Phase III, randomized, open-label study of durvalumab (MEDI4736) monotherapy, or durvalumab+ tremelimumab, versus standard of care (SoC), in recurrent or metastatic (R/M … RL Ferris, C Even, R Haddad, M Tahara, T Goswami, A Franks, ... Journal for ImmunoTherapy of Cancer 3, 1-2, 2015 | 27* | 2015 |
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 |
A dynamic target-based pharmacophoric model mapping the CD4 binding site on HIV-1 gp120 to identify new inhibitors of gp120–CD4 protein–protein interactions F Caporuscio, A Tafi, E González, F Manetti, JA Esté, M Botta Bioorganic & medicinal chemistry letters 19 (21), 6087-6091, 2009 | 26 | 2009 |
Gas‐phase enantioselectivity of chiral amido [4] resorcinarene receptors B Botta, F Caporuscio, I D'Acquarica, G Delle Monache, D Subissati, ... Chemistry–A European Journal 12 (31), 8096-8105, 2006 | 26 | 2006 |
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 |
Probing an allosteric pocket of CDK2 with small molecules MS Christodoulou, F Caporuscio, V Restelli, L Carlino, G Cannazza, ... ChemMedChem 12 (1), 33-41, 2017 | 23 | 2017 |