A Novel Approach for the Virtual Screening and Rational Design of Anticancer Compounds E Estrada, E Uriarte, A Montero-Torres, M Teijeira, L Santana, DeClercq, ... Journal of Medicinal Chemistry 43 (10), 1975–1985, 2000 | 224 | 2000 |
Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps Y Marrero-Ponce, M Iyarreta-Veitía, A Montero-Torres, C Romero-Zaldivar, ... Journal of chemical information and modeling 45 (4), 1082-1100, 2005 | 107 | 2005 |
Activity of a hydroxybibenzyl bryophyte constituent against Leishmania spp. and Trypanosoma cruzi: In silico, in vitro and in vivo activity studies V Roldos, H Nakayama, M Rolón, A Montero-Torres, F Trucco, S Torres, ... European Journal of Medicinal Chemistry 43 (9), 1797-1807, 2008 | 96 | 2008 |
A linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: outcomes of in silico studies supported by experimental results A Meneses-Marcel, Y Marrero-Ponce, Y Machado-Tugores, ... Bioorganic & medicinal chemistry letters 15 (17), 3838-3843, 2005 | 89 | 2005 |
Non-stochastic and stochastic linear indices of the ‘molecular pseudograph’s atom adjacency matrix’: application to ‘in silico’studies for the rational discovery of new … YM Ponce, A Montero-Torres, CR Zaldivar, MI Veitía, MM Peréz, ... Bioorganic & medicinal chemistry 13 (4), 1293-1304, 2005 | 87 | 2005 |
A novel non-stochastic quadratic fingerprints-based approach for the ‘in silico’discovery of new antitrypanosomal compounds A Montero-Torres, MC Vega, Y Marrero-Ponce, M Rolón, A Gómez-Barrio, ... Bioorganic & medicinal chemistry 13 (22), 6264-6275, 2005 | 67 | 2005 |
Synthesis, biological evaluation and chemometric analysis of indazole derivatives. 1, 2-Disubstituted 5-nitroindazolinones, new prototypes of antichagasic drug MC Vega, M Rolón, A Montero-Torres, C Fonseca-Berzal, JA Escario, ... European journal of medicinal chemistry 58, 214-227, 2012 | 64 | 2012 |
A computer-based approach to the rational discovery of new trichomonacidal drugs by atom-type linear indices Y Marrero-Ponce, Y Machado-Tugores, DM Pereira, JA Escario, ... Current Drug Discovery Technologies 2 (4), 245-265, 2005 | 56 | 2005 |
New ligand-based approach for the discovery of antitrypanosomal compounds MC Vega, A Montero-Torres, Y Marrero-Ponce, M Rolón, A Gómez-Barrio, ... Bioorganic & medicinal chemistry letters 16 (7), 1898-1904, 2006 | 50 | 2006 |
Non-stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: theoretical and experimental assessment of a promising … A Montero-Torres, RN García-Sánchez, Y Marrero-Ponce, ... European journal of medicinal chemistry 41 (4), 483-493, 2006 | 49 | 2006 |
Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds Y Marrero-Ponce, A Meneses-Marcel, OM Rivera-Borroto, ... Journal of Computer-Aided Molecular Design 22, 523-540, 2008 | 47 | 2008 |
Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis JA Castillo-Garit, MC Vega, M Rolon, Y Marrero-Ponce, VV Kouznetsov, ... European journal of pharmaceutical sciences 39 (1-3), 30-36, 2010 | 37 | 2010 |
Ligand-based discovery of novel trypanosomicidal drug-like compounds: in silico identification and experimental support JA Castillo-Garit, MC Vega, M Rolón, Y Marrero-Ponce, A Gómez-Barrio, ... European journal of medicinal chemistry 46 (8), 3324-3330, 2011 | 35 | 2011 |
New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors A Meneses-Marcel, OM Rivera-Borroto, Y Marrero-Ponce, A Montero, ... Journal of biomolecular screening 13 (8), 785-794, 2008 | 25 | 2008 |
Synthesis of New Pyrazole and Pyrimidine Steroidal Derivatives D G Rivera, K Peseke, I Jomarrón, A Montero, R Molina, F Coll Molecules 8 (5), 444-452, 2003 | 22 | 2003 |
A Facile Synthesis of Acyclo-C-nucleoside Analogues from 2(3)-Formylglycals I Rudloff, M Michalik, A Montero-Torres, K Peseke ChemInform 11, 1686-1692, 2001 | 20 | 2001 |
Ring Transformations of 2-Formylglycals with C,N-Dinucleophiles A Montero, H Feist, M MIchalik, J Quincoces, K Peseke Synthesis, 664-668, 2002 | 19 | 2002 |
Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones MAM Alho, Y Marrero-Ponce, SJ Barigye, A Meneses-Marcel, YM Tugores, ... Bioorganic & medicinal chemistry 22 (5), 1568-1585, 2014 | 15 | 2014 |
Synthesis of Precursors for New Pyrimidine Acyclo-C-nucleoside Analogues by Ring Transformation of 2-Formylgalactal A Montero, H Feist, M MIchalik, J Quincoces, K Peseke ChemInform 34 (3), 2003 | 13 | 2003 |
Synthesis of Substituted 1‐\C\‐Phenyl‐D‐Tetritols and 1‐C‐(1H‐Pyrazol‐4‐yl)‐D‐tetritols by Ring Transformation of 2‐Formylglycals A Montero, M Michalik, H Feist, H Reinke, I Rudloff, K Peseke Journal of carbohydrate chemistry 23 (5), 313-324, 2004 | 7 | 2004 |