Publicacións nas que colabora con XERARDO XUSTO GARCIA MERA (45)

2021

  1. 3,4-Dihydropyrimidin-2(1H)-ones as Antagonists of the Human A2B Adenosine Receptor: Optimization, Structure-Activity Relationship Studies, and Enantiospecific Recognition

    Journal of medicinal chemistry, Vol. 64, Núm. 1, pp. 458-480

2020

  1. Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A2B Adenosine Receptor Antagonists

    Journal of medicinal chemistry, Vol. 63, Núm. 14, pp. 7721-7739

2019

  1. Trifluorinated Pyrimidine-Based A2B Antagonists: Optimization and Evidence of Stereospecific Recognition

    Journal of Medicinal Chemistry, Vol. 62, Núm. 20, pp. 9315-9330

2018

  1. (±)-3,5-bis(substitutedmethyl)pyrrolidines: Application to the synthesis of analogues of glycine-l-proline-l-glutamic acid (GPE)

    Current Organic Synthesis, Vol. 15, Núm. 2, pp. 230-236

  2. One-pot preparation and characterisation of five-membered cyclic alcohols

    Letters in Organic Chemistry, Vol. 15, Núm. 6, pp. 546-550

  3. 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. Advances towards the synthesis and characterization of five-membered cyclic alcohols and ketones

    Chemical Data Collections

  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. Novel l-prolyl-l-leucylglycinamide (PLG) tripeptidomimetics based on a 2-azanorbornane scaffold as positive allosteric modulators of the D2R

    Organic and Biomolecular Chemistry, Vol. 14, Núm. 47, pp. 11065-11069

2015

  1. A click chemistry approach to the synthesis of 3′-deoxy-2′-substituted carbanucleoside precursors

    Tetrahedron, Vol. 71, Núm. 2, pp. 324-331

  2. Synthesis by microwave-assisted 1,3-dipolar cycloaddition of 1,2,3-triazole 1'-homo-3'-isoazanucleosides and evaluation of their anticancer activity

    European Journal of Medicinal Chemistry, Vol. 98, pp. 212-220

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. Synthesis and allosteric modulation of the dopamine receptor by peptide analogs of l-prolyl-l-leucyl-glycinamide (PLG) modified in the l-proline or l-proline and l-leucine scaffolds

    European Journal of Medicinal Chemistry, Vol. 69, pp. 146-158

  3. 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. A route to selective functionalization of polyhydroxypyrrolidines

    Tetrahedron Letters, Vol. 53, Núm. 9, pp. 1029-1032

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