Machine-learning approaches in drug discovery: methods and applications A Lavecchia Drug discovery today 20 (3), 318-331, 2015 | 791 | 2015 |
Virtual screening strategies in drug discovery: a critical review A Lavecchia, C Di Giovanni Current medicinal chemistry 20 (23), 2839-2860, 2013 | 706 | 2013 |
Deep learning in drug discovery: opportunities, challenges and future prospects A Lavecchia Drug discovery today 24 (10), 2017-2032, 2019 | 300 | 2019 |
In silico methods to address polypharmacology: current status, applications and future perspectives A Lavecchia, C Cerchia Drug Discovery Today 21 (2), 288-298, 2016 | 220 | 2016 |
Arylthioindole inhibitors of tubulin polymerization. 3. Biological evaluation, structure− activity relationships and molecular modeling studies G La Regina, MC Edler, A Brancale, S Kandil, A Coluccia, F Piscitelli, ... Journal of medicinal chemistry 50 (12), 2865-2874, 2007 | 219 | 2007 |
Design, molecular modeling, synthesis, and anti-HIV-1 activity of new indolyl aryl sulfones. Novel derivatives of the indole-2-carboxamide R Ragno, A Coluccia, G La Regina, G De Martino, F Piscitelli, ... Journal of medicinal chemistry 49 (11), 3172-3184, 2006 | 211 | 2006 |
Docking Studies on αvβ3 Integrin Ligands: Pharmacophore Refinement and Implications for Drug Design L Marinelli, A Lavecchia, KE Gottschalk, E Novellino, H Kessler Journal of medicinal chemistry 46 (21), 4393-4404, 2003 | 170 | 2003 |
Pyrido[1,2-a]pyrimidin-4-one Derivatives as a Novel Class of Selective Aldose Reductase Inhibitors Exhibiting Antioxidant Activity C La Motta, S Sartini, L Mugnaini, F Simorini, S Taliani, S Salerno, ... Journal of Medicinal Chemistry 50 (20), 4917-4927, 2007 | 167 | 2007 |
Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor γ ligand-binding domain in the complex with two … G Pochetti, C Godio, N Mitro, D Caruso, A Galmozzi, S Scurati, F Loiodice, ... Journal of Biological Chemistry 282 (23), 17314-17324, 2007 | 142 | 2007 |
New pyrrole inhibitors of monoamine oxidase: synthesis, biological evaluation, and structural determinants of MAO-A and MAO-B selectivity G La Regina, R Silvestri, M Artico, A Lavecchia, E Novellino, O Befani, ... Journal of medicinal chemistry 50 (5), 922-931, 2007 | 138 | 2007 |
Structure-based design, synthesis, and biological evaluation of conformationally restricted novel 2-alkylthio-6-[1-(2, 6-difluorophenyl) alkyl]-3, 4-dihydro-5-alkylpyrimidin-4 … A Mai, G Sbardella, M Artico, R Ragno, S Massa, E Novellino, G Greco, ... Journal of medicinal chemistry 44 (16), 2544-2554, 2001 | 137 | 2001 |
Crystal structure of the peroxisome proliferator-activated receptor γ (PPARγ) ligand binding domain complexed with a novel partial agonist: a new region of the hydrophobic … R Montanari, F Saccoccia, E Scotti, M Crestani, C Godio, F Gilardi, ... Journal of medicinal chemistry 51 (24), 7768-7776, 2008 | 128 | 2008 |
Characterizing the 1,4-Dihydropyridines Binding Interactions in the L-Type Ca2+ Channel: Model Construction and Docking Calculations S Cosconati, L Marinelli, A Lavecchia, E Novellino Journal of medicinal chemistry 50 (7), 1504-1513, 2007 | 128 | 2007 |
Novel bifunctional quinolonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, biological activities, and mechanism of action R Di Santo, R Costi, A Roux, M Artico, A Lavecchia, L Marinelli, ... Journal of medicinal chemistry 49 (6), 1939-1945, 2006 | 124 | 2006 |
Structure−Activity Studies of the Melanocortin Peptides: Discovery of Potent and Selective Affinity Antagonists for the hMC3 and hMC4 Receptors P Grieco, A Lavecchia, M Cai, D Trivedi, D Weinberg, T MacNeil, ... Journal of medicinal chemistry 45 (24), 5287-5294, 2002 | 103 | 2002 |
Synthesis, pharmacological characterization, and docking analysis of a novel family of diarylisoxazoles as highly selective cyclooxygenase-1 (COX-1) inhibitors P Vitale, S Tacconelli, MG Perrone, P Malerba, L Simone, A Scilimati, ... Journal of Medicinal Chemistry 56 (11), 4277-4299, 2013 | 100 | 2013 |
Therapeutic targeting the cell division cycle 25 (CDC25) phosphatases in human acute myeloid leukemia—the possibility to target several kinases through inhibition of the … AK Brenner, H Reikvam, A Lavecchia, Ø Bruserud Molecules 19 (11), 18414-18447, 2014 | 99 | 2014 |
CDC25 phosphatase inhibitors: an update A Lavecchia, C Di Giovanni, E Novellino Mini reviews in medicinal chemistry 12 (1), 62-73, 2012 | 96 | 2012 |
Design and Synthesis of 2-Heterocyclyl-3-arylthio-1H-indoles as Potent Tubulin Polymerization and Cell Growth Inhibitors with Improved Metabolic Stability G La Regina, R Bai, W Rensen, A Coluccia, F Piscitelli, V Gatti, ... Journal of medicinal chemistry 54 (24), 8394-8406, 2011 | 94 | 2011 |
Ligand binding analysis for human α5β1 integrin: strategies for designing new α5β1 integrin antagonists L Marinelli, A Meyer, D Heckmann, A Lavecchia, E Novellino, H Kessler Journal of medicinal chemistry 48 (13), 4204-4207, 2005 | 94 | 2005 |