MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist G Cruciani, E Carosati, B De Boeck, K Ethirajulu, C Mackie, T Howe, ... Journal of medicinal chemistry 48 (22), 6970-6979, 2005 | 427 | 2005 |
Hydrogen bonding interactions of covalently bonded fluorine atoms: from crystallographic data to a new angular function in the GRID force field E Carosati, S Sciabola, G Cruciani Journal of medicinal chemistry 47 (21), 5114-5125, 2004 | 210 | 2004 |
A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields F Broccatelli, E Carosati, A Neri, M Frosini, L Goracci, TI Oprea, ... Journal of medicinal chemistry 54 (6), 1740-1751, 2011 | 113 | 2011 |
IAP antagonists: promising candidates for cancer therapy R Mannhold, S Fulda, E Carosati Drug discovery today 15 (5-6), 210-219, 2010 | 101 | 2010 |
FLAP: GRID molecular interaction fields in virtual screening. validation using the DUD data set S Cross, M Baroni, E Carosati, P Benedetti, S Clementi Journal of chemical information and modeling 50 (8), 1442-1450, 2010 | 82 | 2010 |
1, 4-Dihydropyridine scaffold in medicinal chemistry, the story so far and perspectives (part 2): action in other targets and antitargets E Carosati, P Ioan, M Micucci, F Broccatelli, G Cruciani, BS Zhorov, ... Current medicinal chemistry 19 (25), 4306-4323, 2012 | 81 | 2012 |
1, 4-Dihydropyridine scaffold in medicinal chemistry, the story so far and perspectives (part 1): action in ion channels and GPCRs P Ioan, E Carosati, M Micucci, G Cruciani, F Broccatelli, B S Zhorov, ... Current medicinal chemistry 18 (32), 4901-4922, 2011 | 79 | 2011 |
Pyrazolo [4, 3-c][1, 2] benzothiazines 5, 5-dioxide: a promising new class of Staphylococcus aureus NorA efflux pump inhibitors S Sabatini, F Gosetto, S Serritella, G Manfroni, O Tabarrini, N Iraci, ... Journal of medicinal chemistry 55 (7), 3568-3572, 2012 | 66 | 2012 |
Discovery of novel inhibitors of the NorA multidrug transporter of Staphylococcus aureus JP Brincat, E Carosati, S Sabatini, G Manfroni, A Fravolini, JL Raygada, ... Journal of medicinal chemistry 54 (1), 354-365, 2010 | 65 | 2010 |
Calcium channel antagonists discovered by a multidisciplinary approach E Carosati, G Cruciani, A Chiarini, R Budriesi, P Ioan, R Spisani, ... Journal of medicinal chemistry 49 (17), 5206-5216, 2006 | 64 | 2006 |
Comparison of ligand-based and structure-based 3D-QSAR approaches: a case study on (aryl-) bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase S Sciabola, E Carosati, M Baroni, R Mannhold Journal of medicinal chemistry 48 (11), 3756-3767, 2005 | 48 | 2005 |
Virtual screening for novel openers of pancreatic KATP channels E Carosati, R Mannhold, P Wahl, JB Hansen, T Fremming, I Zamora, ... Journal of medicinal chemistry 50 (9), 2117-2126, 2007 | 47 | 2007 |
A new class of selective myocardial calcium channel modulators. 2. Role of the acetal chain in oxadiazol-3-one derivatives R Budriesi, E Carosati, A Chiarini, B Cosimelli, G Cruciani, P Ioan, ... Journal of medicinal chemistry 48 (7), 2445-2456, 2005 | 44 | 2005 |
Homodimeric enzymes as drug targets D Cardinale, OMH Salo-Ahen, S Ferrari, G Ponterini, G Cruciani, ... Current medicinal chemistry 17 (9), 826-846, 2010 | 39 | 2010 |
Diltiazem analogues: the last ten years on structure activity relationships R Budriesi, B Cosimelli, P Ioan, E Carosati, MP Ugenti, R Spisani Current medicinal chemistry 14 (3), 279-287, 2007 | 38 | 2007 |
Transporter‐mediated efflux influences CNS side effects: ABCB1, from antitarget to target F Broccatelli, E Carosati, G Cruciani, TI Oprea Molecular informatics 29 (1‐2), 16-26, 2010 | 34 | 2010 |
VOLSURF: A Tool for Drug ADME‐Properties Prediction G Cruciani, M Meniconi, E Carosati, I Zamora, R Mannhold Drug Bioavailability: Estimation of Solubility, Permeability, Absorption and …, 2003 | 34 | 2003 |
From 6-aminoquinolone antibacterials to 6-amino-7-thiopyranopyridinylquinolone ethyl esters as inhibitors of Staphylococcus aureus multidrug efflux pumps M Pieroni, M Dimovska, JP Brincat, S Sabatini, E Carosati, S Massari, ... Journal of medicinal chemistry 53 (11), 4466-4480, 2010 | 33 | 2010 |
Discovery of novel and cardioselective diltiazem-like calcium channel blockers via virtual screening E Carosati, R Budriesi, P Ioan, MP Ugenti, M Frosini, F Fusi, G Corda, ... Journal of medicinal chemistry 51 (18), 5552-5565, 2008 | 33 | 2008 |
Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: Comparison versus other 2D-and 3D-descriptors S Sciabola, E Carosati, L Cucurull-Sanchez, M Baroni, R Mannhold Bioorganic & medicinal chemistry 15 (19), 6450-6462, 2007 | 33 | 2007 |