Publications by the researcher in collaboration with Xerardo García Mera (21)

2019

  1. Perturbation Theory Machine Learning Modeling of Immunotoxicity for Drugs Targeting Inflammatory Cytokines and Study of the Antimicrobial G1 Using Cytometric Bead Arrays

    Chemical Research in Toxicology, Vol. 32, Núm. 9, pp. 1811-1823

2018

  1. Perturbation Theory/Machine Learning Model of ChEMBL Data for Dopamine Targets: Docking, Synthesis, and Assay of New l -Prolyl- l -leucyl-glycinamide Peptidomimetics

    ACS Chemical Neuroscience, Vol. 9, Núm. 11, pp. 2572-2587

2017

  1. Multi-target mining of alzheimer disease proteome with Hansch’s QSBR-perturbation theory and experimental-theoretic study of new thiophene isosters of rasagiline

    Current Drug Targets, Vol. 18, Núm. 5, pp. 511-521

2016

  1. Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives

    Neuropharmacology, Vol. 103, pp. 270-278

  2. Experimental-theoretic approach to drug-lymphocyte interactome networks with flow cytometry and spectral moments perturbation theory

    Current Pharmaceutical Design, Vol. 22, Núm. 33, pp. 5114-5119

2014

  1. Model for high-throughput screening of drug immunotoxicity - Study of the anti-microbial G1 over peritoneal macrophages using flow cytometry

    European Journal of Medicinal Chemistry, Vol. 72, pp. 206-220

  2. Prediction of multi-target networks of neuroprotective compounds with entropy indices and synthesis, assay, and theoretical study of new asymmetric 1,2-rasagiline carbamates

    International Journal of Molecular Sciences, Vol. 15, Núm. 9, pp. 17035-17064

2013

  1. Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity

    Current Topics in Medicinal Chemistry, Vol. 13, Núm. 14, pp. 1636-1649

  2. Model for high-throughput screening of multitarget drugs in chemical neurosciences: Synthesis, assay, and theoretic study of rasagiline carbamates

    ACS Chemical Neuroscience, Vol. 4, Núm. 10, pp. 1393-1403

  3. Patents of bio-active compounds based on computer-aided drug discovery techniques

    Frontiers in Bioscience - Elite, Vol. 5 E, Núm. 2, pp. 399-407

  4. TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases

    Bioorganic and Medicinal Chemistry, Vol. 21, Núm. 7, pp. 1870-1879

2012

  1. 3D MI-DRAGON: New model for the reconstruction of US FDA drug- target network and theoretical-experimental studies of inhibitors of rasagiline derivatives for AChE

    Current Topics in Medicinal Chemistry, Vol. 12, Núm. 16, pp. 1843-1865

  2. ANN multiplexing model of drugs effect on macrophages; Theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen

    Bioorganic and Medicinal Chemistry, Vol. 20, Núm. 20, pp. 6181-6194

  3. Immunotoxicity, flow cytometry, and chemoinformatics: Review, bibliometric analysis, and new QSAR model of drug effects over macrophages

    Current Topics in Medicinal Chemistry, Vol. 12, Núm. 16, pp. 1815-1833

2011

  1. 2D MI-DRAGON: A new predictor for protein-ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human parasite proteins

    European Journal of Medicinal Chemistry, Vol. 46, Núm. 12, pp. 5838-5851

  2. Entropy multi-target QSAR model for prediction of antiviral drug complex networks

    Chemometrics and Intelligent Laboratory Systems, Vol. 107, Núm. 2, pp. 227-233

  3. 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

  4. 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

  5. NL mind-best: aweb server for ligands and proteins discovery; theoretic experimental study of proteins of giardia lamblia

    Proteómica: revista de la Sociedad Española de Proteómica, Núm. 7, pp. 170-170

  6. Using entropy of drug and protein graphs to predict FDA drug-target network: Theoretic-experimental study of MAO inhibitors and hemoglobin peptides from Fasciola hepatica

    European Journal of Medicinal Chemistry, Vol. 46, Núm. 4, pp. 1074-1094