Publications en collaboration avec des chercheurs de Instituto de Química Médica (11)

2017

  1. Dry selection and wet evaluation for the rational discovery of new anthelmintics

    Molecular Physics, Vol. 115, Núm. 17-18, pp. 2300-2313

2015

  1. In silico antibacterial activity modeling based on the TOMOCOMD-CARDD approach

    Journal of the Brazilian Chemical Society, Vol. 26, Núm. 6, pp. 1218-1226

2011

  1. Discovery of novel anti-inflammatory drug-like compounds by aligning in silico and in vivo screening: The nitroindazolinone chemotype

    European Journal of Medicinal Chemistry, Vol. 46, Núm. 12, pp. 5736-5753

  2. 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

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. 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

    European Journal of Medicinal Chemistry, Vol. 41, Núm. 4, pp. 483-493

  3. 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