Publicacións en colaboración con investigadores/as de Universidad Central de Las Villas (18)

2022

  1. Emerging Computational Approaches for Antimicrobial Peptide Discovery

    Antibiotics, Vol. 11, Núm. 7

2016

  1. Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2A Adenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors

    Current Pharmaceutical Design, Vol. 22, Núm. 21, pp. 3082-3096

  2. Topological sub-structural molecular design (TOPS-MODE): a useful tool to explore key fragments of human A3adenosine receptor ligands

    Molecular Diversity, Vol. 20, Núm. 1, pp. 55-76

2013

  1. Classifier ensemble based on feature selection and diversity measures for predicting the affinity of A2B adenosine receptor antagonists

    Journal of Chemical Information and Modeling, Vol. 53, Núm. 12, pp. 3140-3155

2010

  1. Multidimensional drug design: Simultaneous analysis of binding and relative efficacy profiles of n6-substituted-4′-thioadenosines A 3 adenosine receptor agonists

    Chemical Biology and Drug Design, Vol. 75, Núm. 6, pp. 607-618

2008

  1. Cytotoxicity of selected imidazolium-derived ionic liquids in the human Caco-2 cell line. Sub-structural toxicological interpretation through a QSAR study

    Green Chemistry, Vol. 10, Núm. 5, pp. 508-51

  2. New QSAR combined strategy for the design of A1 adenosine receptor agonists

    Bioorganic and Medicinal Chemistry, Vol. 16, Núm. 4, pp. 1658-1675

  3. Search for new antagonist ligands for adenosine receptors from QSAR point of view. How close are we?

    Medicinal Research Reviews, Vol. 28, Núm. 3, pp. 329-371

2007

  1. 2D-autocorrelation descriptors for predicting cytotoxicity of naphthoquinone ester derivatives against oral human epidermoid carcinoma

    Bioorganic and Medicinal Chemistry, Vol. 15, Núm. 10, pp. 3565-3571

  2. QSAR studies using radial distribution function for predicting A 1 adenosine receptors agonists

    Bulletin of Mathematical Biology, Vol. 69, Núm. 1, pp. 347-359

2006

  1. QSAR studies about cytotoxicity of benzophenazines with dual inhibition toward both topoisomerases I and II: 3D-MoRSE descriptors and statistical considerations about variable selection

    Bioorganic and Medicinal Chemistry, Vol. 14, Núm. 21, pp. 7347-7358

  2. Quantitative structure activity relationships as useful tools for the design of new adenosine receptor ligands. 1. Agonist

    Current Medicinal Chemistry, Vol. 13, Núm. 19, pp. 2253-2266

  3. Radial distribution function descriptors: An alternative for predicting A2 A adenosine receptors agonists

    European Journal of Medicinal Chemistry, Vol. 41, Núm. 1, pp. 56-62

2005

  1. A radial distribution function approach to predict A 2B agonist effect of adenosine analogues

    Bioorganic and Medicinal Chemistry, Vol. 13, Núm. 3, pp. 601-608

  2. BCUT descriptors to predicting affinity toward A3 adenosine receptors

    Bioorganic and Medicinal Chemistry Letters, Vol. 15, Núm. 15, pp. 3491-3495

  3. GETAWAY descriptors to predicting A2A adenosine receptors agonists

    European Journal of Medicinal Chemistry, Vol. 40, Núm. 11, pp. 1080-1086

  4. Geometry, topology, and atom-weights assembly descriptors to predicting A1 adenosine receptors agonists

    Bioorganic and Medicinal Chemistry Letters, Vol. 15, Núm. 10, pp. 2641-2645

2000

  1. A novel approach for the virtual screening and rational design of anticancer compounds

    Journal of Medicinal Chemistry, Vol. 43, Núm. 10, pp. 1975-1985