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Drug repositioning for novel antitrichomonas from known antiprotozoan drugs using hierarchical screening.
Future Med Chem. 2018 Apr 1;10(8):863-878. doi: 10.4155/fmc-2016-0211. Epub 2018 Mar 28.
Future Med Chem. 2018.
PMID: 29589477
A linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: outcomes of in silico studies supported by experimental results.
Meneses-Marcel A, Marrero-Ponce Y, Machado-Tugores Y, Montero-Torres A, Pereira DM, Escario JA, Nogal-Ruiz JJ, Ochoa C, Arán VJ, Martínez-Fernández AR, García Sánchez RN.
Meneses-Marcel A, et al. Among authors: machado tugores y.
Bioorg Med Chem Lett. 2005 Sep 1;15(17):3838-43. doi: 10.1016/j.bmcl.2005.05.124.
Bioorg Med Chem Lett. 2005.
PMID: 16005626
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Antiprotozoan lead discovery by aligning dry and wet screening: prediction, synthesis, and biological assay of novel quinoxalinones.
Martins Alho MA, Marrero-Ponce Y, Barigye SJ, Meneses-Marcel A, Machado Tugores Y, Montero-Torres A, Gómez-Barrio A, Nogal JJ, García-Sánchez RN, Vega MC, Rolón M, Martínez-Fernández AR, Escario JA, Pérez-Giménez F, Garcia-Domenech R, Rivera N, Mondragón R, Mondragón M, Ibarra-Velarde F, Lopez-Arencibia A, Martín-Navarro C, Lorenzo-Morales J, Cabrera-Serra MG, Piñero J, Tytgat J, Chicharro R, Arán VJ.
Martins Alho MA, et al. Among authors: machado tugores y.
Bioorg Med Chem. 2014 Mar 1;22(5):1568-85. doi: 10.1016/j.bmc.2014.01.036. Epub 2014 Jan 31.
Bioorg Med Chem. 2014.
PMID: 24513185
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Non-stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: theoretical and experimental assessment of a promising method for the discovery of new antimalarial compounds.
Montero-Torres A, García-Sánchez RN, Marrero-Ponce Y, Machado-Tugores Y, Nogal-Ruiz JJ, Martínez-Fernández AR, Arán VJ, Ochoa C, Meneses-Marcel A, Torrens F.
Montero-Torres A, et al. Among authors: machado tugores y.
Eur J Med Chem. 2006 Apr;41(4):483-93. doi: 10.1016/j.ejmech.2005.12.010. Epub 2006 Mar 20.
Eur J Med Chem. 2006.
PMID: 16545891
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Predicting antitrichomonal activity: a computational screening using atom-based bilinear indices and experimental proofs.
Marrero-Ponce Y, Meneses-Marcel A, Castillo-Garit JA, Machado-Tugores Y, Escario JA, Barrio AG, Pereira DM, Nogal-Ruiz JJ, Arán VJ, Martínez-Fernández AR, Torrens F, Rotondo R, Ibarra-Velarde F, Alvarado YJ.
Marrero-Ponce Y, et al. Among authors: machado tugores y.
Bioorg Med Chem. 2006 Oct 1;14(19):6502-24. doi: 10.1016/j.bmc.2006.06.016. Epub 2006 Jul 27.
Bioorg Med Chem. 2006.
PMID: 16875830
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New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors.
Meneses-Marcel A, Rivera-Borroto OM, Marrero-Ponce Y, Montero A, Machado Tugores Y, Escario JA, Gómez Barrio A, Montero Pereira D, Nogal JJ, Kouznetsov VV, Ochoa Puentes C, Bohórquez AR, Grau R, Torrens F, Ibarra-Velarde F, Arán VJ.
Meneses-Marcel A, et al. Among authors: machado tugores y.
J Biomol Screen. 2008 Sep;13(8):785-94. doi: 10.1177/1087057108323122. Epub 2008 Aug 27.
J Biomol Screen. 2008.
PMID: 18753687
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A computer-based approach to the rational discovery of new trichomonacidal drugs by atom-type linear indices.
Marrero-Ponce Y, Machado-Tugores Y, Pereira DM, Escario JA, Barrio AG, Nogal-Ruiz JJ, Ochoa C, Arán VJ, Martínez-Fernández AR, Sánchez RN, Montero-Torres A, Torrens F, Meneses-Marcel A.
Marrero-Ponce Y, et al. Among authors: machado tugores y.
Curr Drug Discov Technol. 2005 Dec;2(4):245-65. doi: 10.2174/157016305775202955.
Curr Drug Discov Technol. 2005.
PMID: 16475921
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