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79 results

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Page 1
Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: the nitroindazolinone chemotype.
Marrero-Ponce Y, Siverio-Mota D, Gálvez-Llompart M, Recio MC, Giner RM, García-Domènech R, Torrens F, Arán VJ, Cordero-Maldonado ML, Esguera CV, de Witte PA, Crawford AD. Marrero-Ponce Y, et al. Among authors: aran vj. Eur J Med Chem. 2011 Dec;46(12):5736-53. doi: 10.1016/j.ejmech.2011.07.053. Epub 2011 Aug 17. Eur J Med Chem. 2011. PMID: 22000935
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: aran vj. 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
New ligand-based approach for the discovery of antitrypanosomal compounds.
Vega MC, Montero-Torres A, Marrero-Ponce Y, Rolón M, Gómez-Barrio A, Escario JA, Arán VJ, Nogal JJ, Meneses-Marcel A, Torrens F. Vega MC, et al. Among authors: aran vj. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1898-904. doi: 10.1016/j.bmcl.2005.12.087. Epub 2006 Feb 7. Bioorg Med Chem Lett. 2006. PMID: 16455249
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: aran vj. Curr Drug Discov Technol. 2005 Dec;2(4):245-65. doi: 10.2174/157016305775202955. Curr Drug Discov Technol. 2005. PMID: 16475921
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: aran vj. 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
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: aran vj. 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
Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds.
Marrero-Ponce Y, Meneses-Marcel A, Rivera-Borroto OM, García-Domenech R, De Julián-Ortiz JV, Montero A, Escario JA, Barrio AG, Pereira DM, Nogal JJ, Grau R, Torrens F, Vogel C, Arán VJ. Marrero-Ponce Y, et al. Among authors: aran vj. J Comput Aided Mol Des. 2008 Aug;22(8):523-40. doi: 10.1007/s10822-008-9171-1. Epub 2008 May 16. J Comput Aided Mol Des. 2008. PMID: 18483767
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: aran vj. J Biomol Screen. 2008 Sep;13(8):785-94. doi: 10.1177/1087057108323122. Epub 2008 Aug 27. J Biomol Screen. 2008. PMID: 18753687
79 results