XERARDO XUSTO
GARCIA MERA
University professor
Humberto
González Díaz
Publications by the researcher in collaboration with Humberto González Díaz (21)
2019
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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
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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
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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
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Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives
Neuropharmacology, Vol. 103, pp. 270-278
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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
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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
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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
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Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity
Current Topics in Medicinal Chemistry, Vol. 13, Núm. 14, pp. 1636-1649
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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
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Patents of bio-active compounds based on computer-aided drug discovery techniques
Frontiers in Bioscience - Elite, Vol. 5 E, Núm. 2, pp. 399-407
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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
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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
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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
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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
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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
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Entropy multi-target QSAR model for prediction of antiviral drug complex networks
Chemometrics and Intelligent Laboratory Systems, Vol. 107, Núm. 2, pp. 227-233
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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
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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
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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
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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