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100 related items for PubMed ID: 25884114

  • 1. Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening.
    Castillo-Garit JA, del Toro-Cortés O, Vega MC, Rolón M, Rojas de Arias A, Casañola-Martin GM, Escario JA, Gómez-Barrio A, Marrero-Ponce Y, Torrens F, Abad C.
    Eur J Med Chem; 2015; 96():238-44. PubMed ID: 25884114
    [Abstract] [Full Text] [Related]

  • 2. Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis.
    Castillo-Garit JA, Vega MC, Rolon M, Marrero-Ponce Y, Kouznetsov VV, Torres DF, Gómez-Barrio A, Bello AA, Montero A, Torrens F, Pérez-Giménez F.
    Eur J Pharm Sci; 2010 Jan 31; 39(1-3):30-6. PubMed ID: 19854271
    [Abstract] [Full Text] [Related]

  • 3. Ligand-based discovery of novel trypanosomicidal drug-like compounds: in silico identification and experimental support.
    Castillo-Garit JA, Vega MC, Rolón M, Marrero-Ponce Y, Gómez-Barrio A, Escario JA, Bello AA, Montero A, Torrens F, Pérez-Giménez F, Arán VJ, Abad C.
    Eur J Med Chem; 2011 Aug 31; 46(8):3324-30. PubMed ID: 21605926
    [Abstract] [Full Text] [Related]

  • 4. Identification in silico and in vitro of novel trypanosomicidal drug-like compounds.
    Castillo-Garit JA, Del Toro-Cortés O, Kouznetsov VV, Puentes CO, Romero Bohórquez AR, Vega MC, Rolón M, Escario JA, Gómez-Barrio A, Marrero-Ponce Y, Torrens F, Abad C.
    Chem Biol Drug Des; 2012 Jul 31; 80(1):38-45. PubMed ID: 22405194
    [Abstract] [Full Text] [Related]

  • 5. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.
    Marrero-Ponce Y, Iyarreta-Veitía M, Montero-Torres A, Romero-Zaldivar C, Brandt CA, Avila PE, Kirchgatter K, Machado Y.
    J Chem Inf Model; 2005 Jul 31; 45(4):1082-100. PubMed ID: 16045304
    [Abstract] [Full Text] [Related]

  • 6. A novel non-stochastic quadratic fingerprints-based approach for the 'in silico' discovery of new antitrypanosomal compounds.
    Montero-Torres A, Vega MC, Marrero-Ponce Y, Rolón M, Gómez-Barrio A, Escario JA, Arán VJ, Martínez-Fernández AR, Meneses-Marcel A.
    Bioorg Med Chem; 2005 Nov 15; 13(22):6264-75. PubMed ID: 16115770
    [Abstract] [Full Text] [Related]

  • 7. 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.
    Bioorg Med Chem; 2006 Oct 01; 14(19):6502-24. PubMed ID: 16875830
    [Abstract] [Full Text] [Related]

  • 8. TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-based linear indices.
    Casañola-Martín GM, Marrero-Ponce Y, Khan MT, Ather A, Sultan S, Torrens F, Rotondo R.
    Bioorg Med Chem; 2007 Feb 01; 15(3):1483-503. PubMed ID: 17110117
    [Abstract] [Full Text] [Related]

  • 9. 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.
    Bioorg Med Chem; 2014 Mar 01; 22(5):1568-85. PubMed ID: 24513185
    [Abstract] [Full Text] [Related]

  • 10. Prediction of tyrosinase inhibition activity using atom-based bilinear indices.
    Marrero-Ponce Y, Khan MT, Casañola Martín GM, Ather A, Sultankhodzhaev MN, Torrens F, Rotondo R.
    ChemMedChem; 2007 Apr 01; 2(4):449-78. PubMed ID: 17366651
    [Abstract] [Full Text] [Related]

  • 11. Synthesis and biological characterization of new aryloxyindole-4,9-diones as potent trypanosomicidal agents.
    Tapia RA, Salas CO, Vázquez K, Espinosa-Bustos C, Soto-Delgado J, Varela J, Birriel E, Cerecetto H, González M, Paulino M.
    Bioorg Med Chem Lett; 2014 Aug 15; 24(16):3919-22. PubMed ID: 25008454
    [Abstract] [Full Text] [Related]

  • 12. 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.
    Eur J Med Chem; 2011 Dec 15; 46(12):5736-53. PubMed ID: 22000935
    [Abstract] [Full Text] [Related]

  • 13. New oxirane derivatives of 1,4-naphthoquinones and their evaluation against T. cruzi epimastigote forms.
    Carneiro PF, do Nascimento SB, Pinto AV, Pinto Mdo C, Lechuga GC, Santos DO, dos Santos Júnior HM, Resende JA, Bourguignon SC, Ferreira VF.
    Bioorg Med Chem; 2012 Aug 15; 20(16):4995-5000. PubMed ID: 22795899
    [Abstract] [Full Text] [Related]

  • 14. Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approach.
    Planche AS, Scotti MT, Emerenciano Vde P, López AG, Pérez EM, Uriarte E.
    J Comput Chem; 2010 Mar 15; 31(4):882-94. PubMed ID: 19618411
    [Abstract] [Full Text] [Related]

  • 15. Application of linear discriminant analysis in the virtual screening of antichagasic drugs through trypanothione reductase inhibition.
    Prieto JJ, Talevi A, Bruno-Blanch LE.
    Mol Divers; 2006 Aug 15; 10(3):361-75. PubMed ID: 17031538
    [Abstract] [Full Text] [Related]

  • 16. New aryloxy-quinone derivatives with promising activity on Trypanosoma cruzi.
    Espinosa-Bustos C, Vázquez K, Varela J, Cerecetto H, Paulino M, Segura R, Pizarro J, Vera B, González M, Zarate AM, Salas CO.
    Arch Pharm (Weinheim); 2020 Jan 15; 353(1):e1900213. PubMed ID: 31709599
    [Abstract] [Full Text] [Related]

  • 17. Ligand-based design, synthesis, and experimental evaluation of novel benzofuroxan derivatives as anti-Trypanosoma cruzi agents.
    Jorge SD, Palace-Berl F, Mesquita Pasqualoto KF, Ishii M, Ferreira AK, Berra CM, Bosch RV, Maria DA, Tavares LC.
    Eur J Med Chem; 2013 Jun 15; 64():200-14. PubMed ID: 23644203
    [Abstract] [Full Text] [Related]

  • 18. Novel nitro(triazole/imidazole)-based heteroarylamides/sulfonamides as potential antitrypanosomal agents.
    Papadopoulou MV, Bloomer WD, Rosenzweig HS, Wilkinson SR, Kaiser M.
    Eur J Med Chem; 2014 Nov 24; 87():79-88. PubMed ID: 25240098
    [Abstract] [Full Text] [Related]

  • 19. Alchornedine, a new anti-trypanosomal guanidine alkaloid from Alchornea glandulosa.
    Barrosa KH, Pinto EG, Tempone AG, Martins EG, Lago JH.
    Planta Med; 2014 Oct 24; 80(15):1310-4. PubMed ID: 25177846
    [Abstract] [Full Text] [Related]

  • 20. 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.
    J Comput Aided Mol Des; 2008 Aug 24; 22(8):523-40. PubMed ID: 18483767
    [Abstract] [Full Text] [Related]

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