Computer-guided drug repurposing: identification of trypanocidal activity of clofazimine, benidipine and saquinavir CL Bellera, DE Balcazar, MC Vanrell, AF Casassa, PH Palestro, ... European journal of medicinal chemistry 93, 338-348, 2015 | 79 | 2015 |
Synthesis of 2‐Hydrazolyl‐4‐Thiazolidinones Based on Multicomponent Reactions and Biological Evaluation Against Trypanosoma Cruzi C Pizzo, C Saiz, A Talevi, L Gavernet, P Palestro, C Bellera, LB Blanch, ... Chemical biology & drug design 77 (3), 166-172, 2011 | 54 | 2011 |
Design, synthesis, and anticonvulsant activity of some sulfamides L Gavernet, IA Barrios, MS Cravero, LE Bruno-Blanch Bioorganic & medicinal chemistry 15 (16), 5604-5614, 2007 | 51 | 2007 |
Strengths and weaknesses of docking simulations in the SARS-CoV-2 era: the main protease (Mpro) case study MA Llanos, ME Gantner, S Rodriguez, LN Alberca, CL Bellera, A Talevi, ... Journal of Chemical Information and Modeling 61 (8), 3758-3770, 2021 | 49 | 2021 |
Docking Applied to the Prediction of the Affinity of Compounds to P‐Glycoprotein PH Palestro, L Gavernet, GL Estiu, LE Bruno Blanch BioMed research international 2014 (1), 358425, 2014 | 41 | 2014 |
Combined virtual screening strategies A Talevi, L Gavernet, LE Bruno-Blanch Current Computer-Aided Drug Design 5 (1), 23-37, 2009 | 40 | 2009 |
3D-QSAR design of novel antiepileptic sulfamides L Gavernet, MJD Cabrera, LE Bruno-Blanch, GL Estiú Bioorganic & medicinal chemistry 15 (3), 1556-1567, 2007 | 37 | 2007 |
Maximum topological distances based indices as molecular descriptors for QSPR. Part 1. Application to alkyl benzenes boiling points M Firpo, L Gavernet, EA Castro, AA Toropov Journal of Molecular Structure: THEOCHEM 501, 419-425, 2000 | 32 | 2000 |
Can drug repurposing strategies be the solution to the COVID-19 crisis? CL Bellera, M Llanos, ME Gantner, S Rodriguez, L Gavernet, M Comini, ... Expert Opinion on Drug Discovery 16 (6), 605-612, 2021 | 31 | 2021 |
A combined virtual screening 2D and 3D QSAR methodology for the selection of new anticonvulsant candidates from a natural product library L Gavernet, A Talevi, EA Castro, LE Bruno‐Blanch QSAR & Combinatorial Science 27 (9), 1120-1129, 2008 | 31 | 2008 |
Spectrometric and theoretical evidences for the occurrence of tautomeric structures of selected ketones PE Allegretti, L Gavernet, EA Castro, JJP Furlong Journal of Molecular Structure: THEOCHEM 532 (1-3), 139-142, 2000 | 29 | 2000 |
Novel sulfamides and sulfamates derived from amino esters: Synthetic studies and anticonvulsant activity ML Villalba, AV Enrique, J Higgs, RA Castaño, S Goicoechea, ... European Journal of Pharmacology 774, 55-63, 2016 | 27 | 2016 |
Sulfamide derivatives with selective carbonic anhydrase VII inhibitory action ML Villalba, P Palestro, M Ceruso, JLG Funes, A Talevi, LB Blanch, ... Bioorganic & Medicinal Chemistry 24 (4), 894-901, 2016 | 27 | 2016 |
Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV L Gavernet, JLG Funes, PH Palestro, LEB Blanch, GL Estiu, A Maresca, ... Bioorganic & medicinal chemistry 21 (6), 1410-1418, 2013 | 24 | 2013 |
Mass spectral and theoretical studies on the tautomerism of β-diketones P Allegretti, PE Allegretti, L Gavernet, JJP Furlong, EA Castro Science Direct Working Paper, 04, 2001 | 24 | 2001 |
Synthesis and anticonvulsant activity of amino acid-derived sulfamides L Gavernet, JE Elvira, GA Samaja, V Pastore, M Sella Cravero, A Enrique, ... Journal of medicinal chemistry 52 (6), 1592-1601, 2009 | 23 | 2009 |
Cannabidiol (CBD) inhibited rhodamine-123 efflux in cultured vascular endothelial cells and astrocytes under hypoxic conditions J Auzmendi, P Palestro, A Blachman, L Gavernet, A Merelli, A Talevi, ... Frontiers in Behavioral Neuroscience 14, 32, 2020 | 22 | 2020 |
N, N′-Dicyclohexylsulfamide and N, N′-diphenethylsulfamide are anticonvulsant sulfamides with affinity for the benzodiazepine binding site of the GABAA receptor and … C Wasowski, L Gavernet, IA Barrios, ML Villalba, V Pastore, G Samaja, ... Biochemical pharmacology 83 (2), 253-259, 2012 | 21 | 2012 |
Synthesis of diketopiperazine: A kinetic study by means of thermoanalytical methods ID Lick, ML Villalba, L Gavernet Thermochimica acta 527, 143-147, 2012 | 20 | 2012 |
A structure-based approach towards the identification of novel antichagasic compounds: Trypanosoma cruzi carbonic anhydrase inhibitors MA Llanos, ML Sbaraglini, ML Villalba, MD Ruiz, C Carrillo, C Alba Soto, ... Journal of Enzyme Inhibition and Medicinal Chemistry 35 (1), 21-30, 2020 | 16 | 2020 |