Publications by the researcher in collaboration with Santiago Vilar Varela (49)

2020

  1. Adenosine receptor ligands: Coumarin–Chalcone hybrids as modulating agents on the activity of hARs

    Molecules, Vol. 25, Núm. 18

  2. Exploring the multi-target performance of mitochondriotropic antioxidants against the pivotal Alzheimer’s disease pathophysiological hallmarks

    Molecules, Vol. 25, Núm. 2

  3. Structure-Based Optimization of Coumarin hA3 Adenosine Receptor Antagonists

    Journal of Medicinal Chemistry, Vol. 63, Núm. 5, pp. 2577-2587

2019

  1. In silico prediction of P-glycoprotein binding: Insights from molecular docking studies

    Current Medicinal Chemistry, Vol. 26, Núm. 10, pp. 1746-1760

2018

  1. Coumarins and adenosine receptors: New perceptions in structure–affinity relationships

    Chemical Biology and Drug Design, Vol. 91, Núm. 1, pp. 245-256

  2. Hydroxybenzoic acid derivatives as dual-target ligands: Mitochondriotropic antioxidants and cholinesterase inhibitors

    Frontiers in Chemistry, Vol. 6, Núm. APR

  3. Ligand and structure-based modeling of passive diffusion through the blood-brain barrier

    Current Medicinal Chemistry, Vol. 25, Núm. 9, pp. 1073-1089

2017

  1. MAO inhibitory activity of bromo-2-phenylbenzofurans: Synthesis,: in vitro study, and docking calculations

    MedChemComm, Vol. 8, Núm. 9, pp. 1788-1796

  2. Molecular docking and drug discovery in β-adrenergic receptors

    Current Medicinal Chemistry, Vol. 24, Núm. 39, pp. 4340-4359

  3. New insights into highly potent tyrosinase inhibitors based on 3-heteroarylcoumarins: Anti-melanogenesis and antioxidant activities, and computational molecular modeling studies

    Bioorganic and Medicinal Chemistry, Vol. 25, Núm. 5, pp. 1687-1695

  4. Synthesis and structure-activity relationship study of novel 3-heteroarylcoumarins based on pyridazine scaffold as selective MAO-B inhibitors

    European Journal of Medicinal Chemistry, Vol. 139, pp. 1-11

2016

  1. Computational Drug Target Screening through Protein Interaction Profiles

    Scientific Reports, Vol. 6

  2. Progress in the development of small molecules as new human A3 adenosine receptor ligands based on the 3-thiophenylcoumarin core

    MedChemComm, Vol. 7, Núm. 5, pp. 845-852

2015

  1. Design and discovery of tyrosinase inhibitors based on a coumarin scaffold

    RSC Advances, Vol. 5, Núm. 114, pp. 94227-94235

  2. Development of novel adenosine receptor ligands based on the 3-amidocoumarin scaffold

    Bioorganic Chemistry, Vol. 61, pp. 1-6

  3. Navigating in chromone chemical space: Discovery of novel and distinct A3 adenosine receptor ligands

    RSC Advances, Vol. 5, Núm. 96, pp. 78572-78585

  4. Potent and selective MAO-B inhibitory activity: Amino- versus nitro-3-arylcoumarin derivatives

    Bioorganic and Medicinal Chemistry Letters, Vol. 25, Núm. 3, pp. 642-648

2014

  1. Insight into the functional and structural properties of 3-arylcoumarin as an interesting scaffold in monoamine oxidase B inhibition

    ChemMedChem, Vol. 9, Núm. 7, pp. 1488-1500

  2. Insight into the interactions between novel coumarin derivatives and human A3 adenosine receptors

    ChemMedChem, Vol. 9, Núm. 10, pp. 2245-2253

  3. Monoamine oxidase (MAO) inhibitory activity: 3-phenylcoumarins versus 4-hydroxy-3-phenylcoumarins

    ChemMedChem, Vol. 9, Núm. 8, pp. 1672-1676