Journal
BIOORGANIC & MEDICINAL CHEMISTRY
Volume 18, Issue 3, Pages 1273-1279Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2009.12.029
Keywords
Flavones; MAO inhibitors; Molecular modeling; Enantiomeric separation
Funding
- MURST (Italy)
- Ministerio de Sanidad y Consumo (Spain) [FISS PI061537]
- Conseller a de Innovacion e Industria de la Xunta de Galicia (Spain) [INCITE07PXI203039ES, INCITE08E1R203054ES, 08CSA019203PR]
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A new series of synthetic flavones, thioflavones, and flavanones has been synthesized and evaluated as potential inhibitors of monoamine oxidase isoforms (MAO-A and -B). The most active series is the flavanone one with higher selective inhibitory activity against MAO-B. Some of these flavanones (mainly the most effective) have been separated and tested as single enantiomers. In order to investigate the MAOs recognition of the most active and selective compounds, a molecular modeling study has been performed using available Protein Data Bank (PDB) structures as receptor models for docking experiments. (C) 2009 Elsevier Ltd. All rights reserved.
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