Publicaciones (120) Publicaciones de CONCEPCION ABAD MAZARIO

2016

  1. Multi-output model with box-jenkins operators of quadratic indices for prediction of malaria and cancer inhibitors targeting ubiquitin-proteasome pathway (UPP) proteins

    Current Protein and Peptide Science, Vol. 17, Núm. 3, pp. 220-227

  2. Prediction of aquatic toxicity of benzene derivatives to tetrahymena pyriformis according to OECD principles

    Current Pharmaceutical Design, Vol. 22, Núm. 33, pp. 5085-5094

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

  2. Multi-output model with Box–Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin–proteasome pathway

    Molecular Diversity, Vol. 19, Núm. 2, pp. 347-356

2014

  1. A rational workflow for sequential virtual screening of chemical libraries on searching for new tyrosinase inhibitors

    Current Topics in Medicinal Chemistry, Vol. 14, Núm. 12, pp. 1473-1485

  2. Analysis of proteasome inhibition prediction using atom-based quadratic indices enhanced by machine learning classification techniques

    Letters in Drug Design and Discovery, Vol. 11, Núm. 6, pp. 705-711

  3. Prediction of ADME properties. Part 1, Classification models to predit Caco-2 cell permeability using atom-based bilinear indices

    Afinidad: Revista de química teórica y aplicada, Vol. 71, Núm. 566, pp. 129-138

  4. Tyrosinase enzyme: 1. An overview on a pharmacological target

    Current Topics in Medicinal Chemistry, Vol. 14, Núm. 12, pp. 1494-1501

2013

  1. La enzima tirosinasa: 2, Inhibidores de origen natural y sintético

    Afinidad: Revista de química teórica y aplicada, Vol. 70, Núm. 564, pp. 270-276

  2. Retrained classification of tyrosinase inhibitors and "In Silico" potency estimation by using atom-type linear indices: A powerful tool for speed up the discovery of leads

    Methodologies and Applications for Chemoinformatics and Chemical Engineering (IGI Global), pp. 322-427

2012

  1. A review of QSAR studies to discover new drug-like compounds actives against Leishmaniasis and Trypanosomiasis

    Current Topics in Medicinal Chemistry, Vol. 12, Núm. 8, pp. 852-865

  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. Modelling monomer/disc composites phase behaviour

    Macromolecular Symposia, Vol. 311, Núm. 1, pp. 49-56

  4. Polar/Ionizable Residues in Transmembrane Segments: Effects on Helix-Helix Packing

    PLoS ONE, Vol. 7, Núm. 9

  5. Prediction of the Binding Affinity between Fenoterol Derivatives and the b2 Adrenergic Receptor Using Atom-Based 3D-Chiral LinearIndices

    Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 4, pp. 9-18

  6. QSAR-based CMs and TOMOCOMD-CARD approach for the discovery of new tyrosinase inhibitor chemicals

    Recent Trends on QSAR in the Pharmaeutical Perceptions (Bentham Science Publishers Ltd.), pp. 298-341

2011

  1. A comparative study of nonlinear machine learning for the "in silico" depiction of tyrosinase inhibitory activity from molecular structure

    Molecular Informatics, Vol. 30, Núm. 6-7, pp. 527-537

  2. Atom-based 3D-chiral quadratic indices.: Part 3: prediction of the binding affinity of the stereoisomers of fenoterol to the B2 adrenergic receptor.

    Afinidad: Revista de química teórica y aplicada, Vol. 68, Núm. 555, pp. 334-340

  3. 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

  4. Novel coumarin-based tyrosinase inhibitors discovered by OECD principles-validated QSAR approach from an enlarged, balanced database

    Molecular Diversity, Vol. 15, Núm. 2, pp. 507-520