Publicaciones en colaboración con investigadores/as de Universitat de València (13)

2015

  1. Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening

    European Journal of Medicinal Chemistry, Vol. 96, pp. 238-244

2014

  1. Antiprotozoan lead discovery by aligning dry and wet screening: Prediction, synthesis, and biological assay of novel quinoxalinones

    Bioorganic and Medicinal Chemistry, Vol. 22, Núm. 5, pp. 1568-1585

2012

  1. Descubrimiento de nuevos antimaláricos a partir de fármacos conocidos mediante cribado in silico e in vitro

    Anales de la Real Academia Nacional de Farmacia, Vol. 78, Núm. 4, pp. 401-416

  2. Identification In Silico and In Vitro of Novel Trypanosomicidal Drug-Like Compounds

    Chemical Biology and Drug Design, Vol. 80, Núm. 1, pp. 38-45

  3. Synthesis, biological evaluation and chemometric analysis of indazole derivatives. 1,2-Disubstituted 5-nitroindazolinones, new prototypes of antichagasic drug

    European Journal of Medicinal Chemistry, Vol. 58, pp. 214-227

2011

  1. Ligand-based discovery of novel trypanosomicidal drug-like compounds: In silico identification and experimental support

    European Journal of Medicinal Chemistry, Vol. 46, Núm. 8, pp. 3324-3330

2010

  1. Computational discovery of novel trypanosomicidal drug-like chemicals by using bond-based non-stochastic and stochastic quadratic maps and linear discriminant analysis

    European Journal of Pharmaceutical Sciences, Vol. 39, Núm. 1-3, pp. 30-36

2009

  1. Discovery of novel trichomonacidals using LDA-driven QSAR models and bond-based bilinear indices as molecular descriptors

    QSAR and Combinatorial Science, Vol. 28, Núm. 1, pp. 9-26

2008

  1. Bond-based linear indices in QSAR: Computational discovery of novel anti-trichomonal compounds

    Journal of Computer-Aided Molecular Design, Vol. 22, Núm. 8, pp. 523-540

  2. New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors

    Journal of Biomolecular Screening, Vol. 13, Núm. 8, pp. 785-794

2006

  1. New ligand-based approach for the discovery of antitrypanosomal compounds

    Bioorganic and Medicinal Chemistry Letters, Vol. 16, Núm. 7, pp. 1898-1904

  2. Predicting antitrichomonal activity: A computational screening using atom-based bilinear indices and experimental proofs

    Bioorganic and Medicinal Chemistry, Vol. 14, Núm. 19, pp. 6502-6524

2005

  1. A computer-based approach to the rational discovery of new trichomonacidal drugs by atom-type linear indices

    Current Drug Discovery Technologies, Vol. 2, Núm. 4, pp. 245-265