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Journal Abstract Search

84 related items for PubMed ID: 22405194

  • 1. 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; 80(1):38-45. PubMed ID: 22405194
    [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. 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 Aug 31; 96():238-44. PubMed ID: 25884114
    [Abstract] [Full Text] [Related]

  • 5. 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]

  • 6. 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]

  • 7. 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 01; 46(12):5736-53. PubMed ID: 22000935
    [Abstract] [Full Text] [Related]

  • 8. 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 Dec 01; 45(4):1082-100. PubMed ID: 16045304
    [Abstract] [Full Text] [Related]

  • 9. 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.
    J Biomol Screen; 2008 Sep 01; 13(8):785-94. PubMed ID: 18753687
    [Abstract] [Full Text] [Related]

  • 10. 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 01; 31(4):882-94. PubMed ID: 19618411
    [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. 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]

  • 13. 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]

  • 14. Anti-T. cruzi activities and QSAR studies of 3-arylquinoxaline-2-carbonitrile di-N-oxides.
    Vicente E, Duchowicz PR, Benítez D, Castro EA, Cerecetto H, González M, Monge A.
    Bioorg Med Chem Lett; 2010 Aug 15; 20(16):4831-5. PubMed ID: 20634064
    [Abstract] [Full Text] [Related]

  • 15. Studies toward the structural optimization of novel thiazolylhydrazone-based potent antitrypanosomal agents.
    Hernandes MZ, Rabello MM, Leite AC, Cardoso MV, Moreira DR, Brondani DJ, Simone CA, Reis LC, Souza MA, Pereira VR, Ferreira RS, McKerrow JH.
    Bioorg Med Chem; 2010 Nov 15; 18(22):7826-35. PubMed ID: 20961766
    [Abstract] [Full Text] [Related]

  • 16. In vitro activity of N-benzenesulfonylbenzotriazole on Trypanosoma cruzi epimastigote and trypomastigote forms.
    Becerra MC, Guiñazú N, Hergert LY, Pellegrini A, Mazzieri MR, Gea S, Albesa I.
    Exp Parasitol; 2012 May 15; 131(1):57-62. PubMed ID: 22425748
    [Abstract] [Full Text] [Related]

  • 17. Structure-activity relationship of new growth inhibitors of Trypanosoma cruzi.
    Cinque GM, Szajnman SH, Zhong L, Docampo R, Schvartzapel AJ, Rodriguez JB, Gros EG.
    J Med Chem; 1998 Apr 23; 41(9):1540-54. PubMed ID: 9554887
    [Abstract] [Full Text] [Related]

  • 18. New potent imidazoisoquinolinone derivatives as anti-Trypanosoma cruzi agents: biological evaluation and structure-activity relationships.
    Bollini M, Casal JJ, Alvarez DE, Boiani L, González M, Cerecetto H, Bruno AM.
    Bioorg Med Chem; 2009 Feb 15; 17(4):1437-44. PubMed ID: 19168363
    [Abstract] [Full Text] [Related]

  • 19. Synthesis and in vitro antitrypanosomal activity of novel Nifurtimox analogues.
    Pozas R, Carballo J, Castro C, Rubio J.
    Bioorg Med Chem Lett; 2005 Mar 01; 15(5):1417-21. PubMed ID: 15713399
    [Abstract] [Full Text] [Related]

  • 20. 5-Nitro-2-furyl derivative actives against Trypanosoma cruzi: preliminary in vivo studies.
    Cabrera E, Murguiondo MG, Arias MG, Arredondo C, Pintos C, Aguirre G, Fernández M, Basmadjián Y, Rosa R, Pacheco JP, Raymondo S, Di Maio R, González M, Cerecetto H.
    Eur J Med Chem; 2009 Oct 01; 44(10):3909-14. PubMed ID: 19446929
    [Abstract] [Full Text] [Related]

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