Synthesis and antitrypanosomal evaluation of E-isomers of 5-nitro-2-furaldehyde and 5-nitrothiophene-2-carboxaldehyde semicarbazone derivatives. Structure–activity relationships. H Cerecetto, R Di Maio, M González, M Risso, G Sagrera, G Seoane, ... European journal of medicinal chemistry 35 (3), 343-350, 2000 | 135 | 2000 |
The chemotherapy of Chagas' disease: an overview M Paulino, F Iribarne, M Dubin, S Aguilera-Morales, O Tapia, ... Mini reviews in medicinal chemistry 5 (5), 499-519, 2005 | 129 | 2005 |
Synthesis and anti-trypanosomal activity of novel 5-nitro-2-furaldehyde and 5-nitrothiophene-2-carboxaldehyde semicarbazone derivatives H Cerecetto, R Di Maio, G Ibarruri, G Seoane, A Denicola, G Peluffo, ... Il farmaco 53 (2), 89-94, 1998 | 99 | 1998 |
Study of the Time-Course of cis/trans (Z/E) Isomerization of Lycopene, Phytoene, and Phytofluene from Tomato AJ Melendez-Martinez, M Paulino, CM Stinco, P Mapelli-Brahm, XD Wang Journal of agricultural and food chemistry 62 (51), 12399-12406, 2014 | 78 | 2014 |
Xanthine oxidase inhibitory activity of natural and hemisynthetic flavonoids from Gardenia oudiepe (Rubiaceae) in vitro and molecular docking studies MD Santi, MP Zunini, B Vera, C Bouzidi, V Dumontet, A Abin-Carriquiry, ... European journal of medicinal chemistry 143, 577-582, 2018 | 68 | 2018 |
Molecular cloning, sequencing and expression of a serine proteinase inhibitor gene from Toxoplasma gondii V Pszenny, SO Angel, VG Duschak, M Paulino, B Ledesma, MI Yabo, ... Molecular and biochemical parasitology 107 (2), 241-249, 2000 | 58 | 2000 |
Remarks on the phylogeny and structure of fatty acid binding proteins from parasitic platyhelminths A Esteves, L Joseph, M Paulino, R Ehrlich International Journal for Parasitology 27 (9), 1013-1023, 1997 | 49 | 1997 |
Synthesis and pharmacophore modelling of 2, 6, 9-trisubstituted purine derivatives and their potential role as apoptosis-inducing agents in cancer cell lines J Calderón-Arancibia, C Espinosa-Bustos, Á Cañete-Molina, RA Tapia, ... Molecules 20 (4), 6808-6826, 2015 | 47 | 2015 |
Structural evidence of quercetin multi-target bioactivity: A reverse virtual screening strategy D Carvalho, M Paulino, F Polticelli, F Arredondo, RJ Williams, ... European Journal of pharmaceutical sciences 106, 393-403, 2017 | 43 | 2017 |
Theoretical studies of hydrogen-bonded complexes using semiempirical methods EL Coitiño, K Irving, J Rama, A Iglesias, M Paulino, ON Ventura Journal of Molecular Structure: THEOCHEM 210, 405-426, 1990 | 40 | 1990 |
Trypanothione reductase: a target for the development of anti-Trypanosoma cruzi drugs K Vázquez, M Paulino, C O Salas, J J Zarate-Ramos, B Vera, G Rivera Mini Reviews in Medicinal Chemistry 17 (11), 939-946, 2017 | 39 | 2017 |
New aryloxy-quinone derivatives as potential anti-Chagasic agents: Synthesis, trypanosomicidal activity, electrochemical properties, pharmacophore elucidation and 3D-QSAR analysis K Vázquez, C Espinosa-Bustos, J Soto-Delgado, RA Tapia, J Varela, ... RSC advances 5 (80), 65153-65166, 2015 | 38 | 2015 |
Studies of trypanocidal (inhibitory) power of naphthoquinones: Evaluation of quantum chemical molecular descriptors for structure–activity relationships M Paulino, EM Alvareda, PA Denis, EJ Barreiro, GMS da Silva, M Dubin, ... European journal of medicinal chemistry 43 (10), 2238-2246, 2008 | 35 | 2008 |
Assaying phenothiazine derivatives as trypanothione reductase and glutathione reductase inhibitors by theoretical docking and molecular dynamics studies F Iribarne, M Paulino, S Aguilera, O Tapia Journal of Molecular Graphics and Modelling 28 (4), 371-381, 2009 | 31 | 2009 |
Bond dissociation energies and enthalpies of formation of flavonoids: A G4 and M06-2X investigation E Alvareda, PA Denis, F Iribarne, M Paulino Computational and Theoretical Chemistry 1091, 18-23, 2016 | 29 | 2016 |
Phenolic contents and antioxidant activity in central-southern Uruguayan propolis extracts M Paulino Zunini, C Rojas, S De Paula, I Elingold, E Alvareda Migliaro, ... Journal of the Chilean Chemical Society 55 (1), 141-146, 2010 | 28 | 2010 |
Computer assisted simulations and molecular graphics methods in molecular design. 1. Theory and applications to enzyme active-site directed drug design O Tapia, M Paulino, F Stamato Molecular Engineering 3, 377-414, 1994 | 27 | 1994 |
In silico characterization of cytisinoids docked into an acetylcholine binding protein JA Abin-Carriquiry, MP Zunini, BK Cassels, S Wonnacott, F Dajas Bioorganic & medicinal chemistry letters 20 (12), 3683-3687, 2010 | 25 | 2010 |
Computer assisted design of potentially active anti-trypanosomal compounds M Paulino, F Iribarne, M Hansz, M Vega, G Seoane, H Cerecetto, ... Journal of Molecular Structure: THEOCHEM 584 (1-3), 95-105, 2002 | 25 | 2002 |
Molecular dynamics simulation of a Zif268-DNA complex in water. Spatial patterns and fluctuations sensed from a nanosecond trajectory G Roxstroem, I Velazquez, M Paulino, O Tapia The Journal of Physical Chemistry B 102 (10), 1828-1832, 1998 | 21 | 1998 |