Publicacións nas que colabora con Santiago Vilar Varela (32)

2020

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

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

2018

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

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

  2. 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

2016

  1. 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. 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. Similarity-based modeling in large-scale prediction of drug-drug interactions

    Nature Protocols, Vol. 9, Núm. 9, pp. 2147-2163

  4. State of the art and development of a drug-drug interaction large scale predictor based on 3D pharmacophoric similarity

    Current Drug Metabolism, Vol. 15, Núm. 5, pp. 490-501

  5. Synthesis, pharmacological study and docking calculations of new benzo[f]coumarin derivatives as dual inhibitors of enzymatic systems involved in neurodegenerative diseases

    Future Medicinal Chemistry, Vol. 6, Núm. 4, pp. 371-383

2013

  1. Comparative study of the 3-phenylcoumarin scaffold: Synthesis, X-ray structural analysis and semiempirical calculations of a selected series of compounds

    Journal of Molecular Structure, Vol. 1050, pp. 185-191

  2. Detection of Drug-Drug Interactions by Modeling Interaction Profile Fingerprints

    PLoS ONE, Vol. 8, Núm. 3

  3. MAO Inhibitory Activity of 2-Arylbenzofurans versus 3-Arylcoumarins: Synthesis, invitro Study, and Docking Calculations

    ChemMedChem, Vol. 8, Núm. 6, pp. 956-966

  4. Novel (coumarin-3-yl)carbamates as selective MAO-B inhibitors: Synthesis, in vitro and in vivo assays, theoretical evaluation of ADME properties and docking study

    European Journal of Medicinal Chemistry, Vol. 63, pp. 151-161

  5. Synthesis, NMR characterization, X-ray structural analysis and theoretical calculations of amide and ester derivatives of the coumarin scaffold

    Journal of Molecular Structure, Vol. 1041, pp. 144-150

2012

  1. Drug-drug interaction through molecular structure similarity analysis

    Journal of the American Medical Informatics Association, Vol. 19, Núm. 6, pp. 1066-1074

  2. Enhancing adverse drug event detection in electronic health records using molecular structure similarity: Application to pancreatitis

    PLoS ONE, Vol. 7, Núm. 7