Publications dans lesquelles il/elle collabore avec Maria Auxiliadora Dea Ayuela (12)

2022

  1. Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives

    Journal of chemical information and modeling, Vol. 62, Núm. 16, pp. 3928-3940

2021

  1. Palladium-mediated synthesis and biological evaluation of C-10b substituted Dihydropyrrolo[1,2-b]isoquinolines as antileishmanial agents

    European Journal of Medicinal Chemistry, Vol. 220

2013

  1. Synthetic oxoisoaporphine alkaloids: in vitro, in vivo and in silico assessment of antileishmanial activities.

    PloS one, Vol. 8, Núm. 10

2011

  1. Extending ulam-markov indices from mass-spectra of drugs and proteins to proteome serum profiles of prostate cancer patients

    PSA and Prostate Cancer (Nova Science Publishers, Inc.), pp. 119-136

  2. MIND-BEST: Web server for drugs and target discovery; Design, synthesis, and assay of MAO-B inhibitors and theoretical-experimental study of G3PDH protein from trichomonas gallinae

    Journal of Proteome Research, Vol. 10, Núm. 4, pp. 1698-1718

  3. NL MIND-BEST: A web server for ligands and proteins discovery-Theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum

    Journal of Theoretical Biology, Vol. 276, Núm. 1, pp. 229-249

2010

  1. QSAR for RNases and theoretic-experimental study of molecular diversity on peptide mass fingerprints of a new Leishmania infantum protein

    Molecular Diversity, Vol. 14, Núm. 2, pp. 349-369

2009

  1. 3D entropy and moments prediction of enzyme classes and experimental-theoretic study of peptide fingerprints in Leishmania parasites

    Biochimica et Biophysica Acta - Proteins and Proteomics, Vol. 1794, Núm. 12, pp. 1784-1794

  2. Generalized lattice graphs for 2D-visualization of biological information

    Journal of Theoretical Biology, Vol. 261, Núm. 1, pp. 136-147

  3. Prediction of enzyme classes from 3D structure: A general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins

    Journal of Proteome Research, Vol. 8, Núm. 9, pp. 4372-4382

  4. Study of peptide fingerprints of parasite proteins and drug-DNA interactions with Markov-Mean-Energy invariants of biopolymer molecular-dynamic lattice networks

    Polymer, Vol. 50, Núm. 15, pp. 3857-3870

2008

  1. HP-Lattice QSAR for dynein proteins: Experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence

    Bioorganic and Medicinal Chemistry, Vol. 16, Núm. 16, pp. 7770-7776