I+D de fármacos
GI-1606
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Columbia University Medical Center
Nueva York, Estados UnidosPublicacións en colaboración con investigadores/as de Columbia University Medical Center (18)
2017
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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
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Computational Drug Target Screening through Protein Interaction Profiles
Scientific Reports, Vol. 6
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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
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Design and discovery of tyrosinase inhibitors based on a coumarin scaffold
RSC Advances, Vol. 5, Núm. 114, pp. 94227-94235
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Development of novel adenosine receptor ligands based on the 3-amidocoumarin scaffold
Bioorganic Chemistry, Vol. 61, pp. 1-6
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Navigating in chromone chemical space: Discovery of novel and distinct A3 adenosine receptor ligands
RSC Advances, Vol. 5, Núm. 96, pp. 78572-78585
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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
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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
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Monoamine oxidase (MAO) inhibitory activity: 3-phenylcoumarins versus 4-hydroxy-3-phenylcoumarins
ChemMedChem, Vol. 9, Núm. 8, pp. 1672-1676
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Similarity-based modeling in large-scale prediction of drug-drug interactions
Nature Protocols, Vol. 9, Núm. 9, pp. 2147-2163
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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
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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
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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
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Detection of Drug-Drug Interactions by Modeling Interaction Profile Fingerprints
PLoS ONE, Vol. 8, Núm. 3
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MAO Inhibitory Activity of 2-Arylbenzofurans versus 3-Arylcoumarins: Synthesis, invitro Study, and Docking Calculations
ChemMedChem, Vol. 8, Núm. 6, pp. 956-966
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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
2012
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Enhancing adverse drug event detection in electronic health records using molecular structure similarity: Application to pancreatitis
PLoS ONE, Vol. 7, Núm. 7
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Predicting monoamine oxidase inhibitory activity through ligand-based models
Current Topics in Medicinal Chemistry, Vol. 12, Núm. 20, pp. 2258-2274