| An activity-guided map of electrophile-cysteine interactions in primary human T cells EV Vinogradova, X Zhang, D Remillard, DC Lazar, RM Suciu, Y Wang, ... Cell 182 (4), 1009-1026. e29, 2020 | 216 | 2020 |
| Covalent docking using autodock: Two‐point attractor and flexible side chain methods G Bianco, S Forli, DS Goodsell, AJ Olson Protein Science 25 (1), 295-301, 2016 | 196 | 2016 |
| Expedited mapping of the ligandable proteome using fully functionalized enantiomeric probe pairs Y Wang, MM Dix, G Bianco, JR Remsberg, HY Lee, M Kalocsay, SP Gygi, ... Nature chemistry 11 (12), 1113-1123, 2019 | 104 | 2019 |
| Isatin thiazoline hybrids as dual inhibitors of HIV-1 reverse transcriptase R Meleddu, S Distinto, A Corona, E Tramontano, G Bianco, C Melis, ... Journal of enzyme inhibition and medicinal chemistry 32 (1), 130-136, 2017 | 60 | 2017 |
| (3Z)-3-(2-[4-(aryl)-1,3-thiazol-2-yl]hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one derivatives as dual inhibitors of HIV-1 reverse transcriptase R Meleddu, S Distinto, A Corona, G Bianco, V Cannas, F Esposito, ... European journal of medicinal chemistry 93, 452-460, 2015 | 59 | 2015 |
| Isatin: a privileged scaffold for the design of carbonic anhydrase inhibitors C Melis, R Meleddu, A Angeli, S Distinto, G Bianco, C Capasso, ... Journal of enzyme inhibition and medicinal chemistry 32 (1), 68-73, 2017 | 58 | 2017 |
| Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4 L El Khoury, D Santos-Martins, S Sasmal, J Eberhardt, G Bianco, ... Journal of computer-aided molecular design 33 (12), 1011-1020, 2019 | 57 | 2019 |
| Ribonuclease H/DNA polymerase HIV-1 reverse transcriptase dual inhibitor: mechanistic studies on the allosteric mode of action of isatin-based compound RMNC6 A Corona, R Meleddu, F Esposito, S Distinto, G Bianco, T Masaoka, ... PloS one 11 (1), e0147225, 2016 | 55 | 2016 |
| Drug design, synthesis, in vitro and in silico evaluation of selective monoaminoxidase B inhibitors based on 3-acetyl-2-dichlorophenyl-5-aryl-2,3-dihydro-1,3,4 … S Distinto, R Meleddu, M Yanez, R Cirilli, G Bianco, ML Sanna, A Arridu, ... European journal of medicinal chemistry 108, 542-552, 2016 | 45 | 2016 |
| Identification of myricetin as an ebola virus VP35–double-stranded RNA interaction inhibitor through a novel fluorescence-based assay GL Daino, A Frau, C Sanna, D Rigano, S Distinto, V Madau, F Esposito, ... Biochemistry 57 (44), 6367-6378, 2018 | 38 | 2018 |
| Targeting tumor associated carbonic anhydrases IX and XII: highly isozyme selective coumarin and psoralen inhibitors C Melis, S Distinto, G Bianco, R Meleddu, F Cottiglia, B Fois, D Taverna, ... ACS medicinal chemistry letters 9 (7), 725-729, 2018 | 38 | 2018 |
| Design, synthesis and antiviral evaluation of novel heteroarylcarbothioamide derivatives as dual inhibitors of HIV-1 reverse transcriptase-associated RNase H and RDDP functions A Corona, V Onnis, A Deplano, G Bianco, M Demurtas, S Distinto, ... Pathogens and disease 75 (6), ftx078, 2017 | 34 | 2017 |
| Design, Synthesis, and Biological Evaluation of 1, 3‐Diarylpropenones as Dual Inhibitors of HIV‐1 Reverse Transcriptase R Meleddu, V Cannas, S Distinto, G Sarais, C Del Vecchio, F Esposito, ... ChemMedChem 9 (8), 1869-1879, 2014 | 28 | 2014 |
| N-Acylbenzenesulfonamide Dihydro-1,3,4-oxadiazole Hybrids: Seeking Selectivity toward Carbonic Anhydrase Isoforms G Bianco, R Meleddu, S Distinto, F Cottiglia, M Gaspari, C Melis, ... ACS Medicinal Chemistry Letters 8 (8), 792-796, 2017 | 27 | 2017 |
| Selective and effective: current progress in computational structure-based drug discovery of targeted covalent inhibitors G Bianco, DS Goodsell, S Forli Trends in pharmacological sciences 41 (12), 1038-1049, 2020 | 24 | 2020 |
| New 4-[(3-cyclohexyl-4-aryl-2, 3-dihydro-1, 3-thiazol-2-ylidene) amino] benzene-1-sulfonamides, synthesis and inhibitory activity toward carbonic anhydrase I, II, IX, XII R Meleddu, E Maccioni, S Distinto, G Bianco, C Melis, S Alcaro, F Cottiglia, ... Bioorganic & medicinal chemistry letters 25 (16), 3281-3284, 2015 | 24 | 2015 |
| Tuning the dual inhibition of carbonic anhydrase and cyclooxygenase by dihydrothiazole benzensulfonamides R Meleddu, S Distinto, F Cottiglia, R Angius, M Gaspari, D Taverna, ... ACS Medicinal Chemistry Letters 9 (10), 1045-1050, 2018 | 23 | 2018 |
| D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU D Santos-Martins, J Eberhardt, G Bianco, L Solis-Vasquez, FA Ambrosio, ... Journal of computer-aided molecular design 33, 1071-1081, 2019 | 21 | 2019 |
| Phenylpropenoids from Bupleurum fruticosum as Anti-Human Rhinovirus Species A Selective Capsid Binders B Fois, G Bianco, VP Sonar, S Distinto, E Maccioni, R Meleddu, C Melis, ... Journal of natural products 80 (10), 2799-2806, 2017 | 21 | 2017 |
| Through scaffold modification to 3, 5-diaryl-4, 5-dihydroisoxazoles: new potent and selective inhibitors of monoamine oxidase B R Meleddu, S Distinto, R Cirilli, S Alcaro, M Yanez, ML Sanna, A Corona, ... Journal of Enzyme Inhibition and Medicinal Chemistry 32 (1), 264-270, 2017 | 16 | 2017 |
