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Journal Abstract Search

141 related items for PubMed ID: 19854271

  • 1. 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
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  • 3. 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
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  • 4. 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 Nov 15; 45(4):1082-100. PubMed ID: 16045304
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  • 5. 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 15; 46(8):3324-30. PubMed ID: 21605926
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  • 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
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  • 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. 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
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  • 11. 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
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  • 12. Unified QSAR approach to antimicrobials. Part 3: first multi-tasking QSAR model for input-coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds.
    Prado-Prado FJ, González-Díaz H, de la Vega OM, Ubeira FM, Chou KC.
    Bioorg Med Chem; 2008 Jun 01; 16(11):5871-80. PubMed ID: 18485714
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  • 13. Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks.
    Prado-Prado FJ, Martinez de la Vega O, Uriarte E, Ubeira FM, Chou KC, González-Díaz H.
    Bioorg Med Chem; 2009 Jan 15; 17(2):569-75. PubMed ID: 19112024
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  • 14. 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
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  • 15. 3D-chiral quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of sigma-receptor antagonist activities.
    Ponce YM, Diaz HG, Zaldivar VR, Torrens F, Castro EA.
    Bioorg Med Chem; 2004 Oct 15; 12(20):5331-42. PubMed ID: 15388160
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  • 16. 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 15; 2(4):449-78. PubMed ID: 17366651
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  • 17. 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.
    Eur J Med Chem; 2006 Apr 15; 41(4):483-93. PubMed ID: 16545891
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  • 18. 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
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  • 19. Dragon method for finding novel tyrosinase inhibitors: Biosilico identification and experimental in vitro assays.
    Casañola-Martín GM, Marrero-Ponce Y, Khan MT, Ather A, Khan KM, Torrens F, Rotondo R.
    Eur J Med Chem; 2007 Aug 15; 42(11-12):1370-81. PubMed ID: 17637486
    [Abstract] [Full Text] [Related]

  • 20. 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.
    Bioorg Med Chem Lett; 2005 Sep 01; 15(17):3838-43. PubMed ID: 16005626
    [Abstract] [Full Text] [Related]

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