Publicacións nas que colabora con Humberto González Díaz (107)

2021

  1. Synthesis, Pharmacological, and Biological Evaluation of 2-Furoyl-Based MIF-1 Peptidomimetics and the Development of a General-Purpose Model for Allosteric Modulators (ALLOPTML)

    ACS Chemical Neuroscience, Vol. 12, Núm. 1, pp. 203-215

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. A study of the Immune Epitope Database for some fungi species using network topological indices

    Molecular Diversity, Vol. 21, Núm. 3, pp. 713-718

  2. 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

  3. QSPR-Perturbation Models for the Prediction of B-Epitopes from Immune Epitope Database: A Potentially Valuable Route for Predicting “In Silico” New Optimal Peptide Sequences and/or Boundary Conditions for Vaccine Development

    International Journal of Peptide Research and Therapeutics, Vol. 22, Núm. 4, pp. 445-450

2015

  1. Bio-AIMS collection of chemoinformatics web tools based on molecular graph information and Artificial Intelligence Models

    Combinatorial Chemistry and High Throughput Screening, Vol. 18, Núm. 8, pp. 735-750

2014

  1. A QSPR-like model for multilocus genotype networks of Fasciola hepatica in Northwest Spain

    Journal of Theoretical Biology, Vol. 343, pp. 16-24

  2. LECTINPred: Web server that uses complex networks of protein structure for prediction of lectins with potential use as cancer biomarkers or in parasite vaccine design

    Molecular Informatics, Vol. 33, Núm. 4, pp. 276-285

  3. 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

  4. Model for vaccine design by prediction of B-epitopes of IEDB given perturbations in peptide sequence, in vivo process, experimental techniques, and source or host organisms

    Journal of Immunology Research, Vol. 2014

  5. Nanocarriers & drug delivery: Rational design and applications

    Current Topics in Medicinal Chemistry

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

    PloS one, Vol. 8, Núm. 10

  5. 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