Publications by the researcher in collaboration with María Olga Caamaño Santos (11)

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

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. 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. 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

  2. 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

2011

  1. 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

  2. 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