Monoamine oxidase A and B inhibiting effect and molecular modeling of some synthesized coumarin derivatives.

Omaima M Abdelhafez, Kamelia M Amin, Hamed I Ali, Mohamed M Abdalla, Rasha Z Batran

Chemistry of Natural Products Dept., National Research Centre, Dokki, Egypt. ommryan@yahoo.com

Neurochemistry international 2013 Jan

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New series of bioactive 7-oxycoumarin derivatives were synthesized and tested for their in vitro and in vivo monoamine oxidase (MAO) A and B inhibitory effect. In vitro studies revealed exceptionally potent and selective MAO-A inhibitors with K(i) values on a picomolar range. The acetohydrazide (3b) and the dioxopyrrolidine derivative (7b) showed the most potent in vitro and in vivo MAO inhibition activity. Moreover, molecular modeling study of the synthesized compounds into MAO-A (PDB: 2Z5X) and MAO-B (PDB: 2XFN) binding sites exhibited direct correlation between AutoDock binding affinity and% inhibition MAO-A (pM) and MAO-B (μM). In addition, the results of in vivo MAO inhibiting properties (ED(50)) of the tested compounds revealed better direct correlation. Copyright © 2012 Elsevier Ltd. All rights reserved.

Citation

Omaima M Abdelhafez, Kamelia M Amin, Hamed I Ali, Mohamed M Abdalla, Rasha Z Batran. Monoamine oxidase A and B inhibiting effect and molecular modeling of some synthesized coumarin derivatives. Neurochemistry international. 2013 Jan;62(2):198-209