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

abstract

• 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 (M). In addition, the results of in vivo MAO inhibiting properties (ED(50)) of the tested compounds revealed better direct correlation.

authors

• Ali, Hamed

published proceedings

• Neurochem Int

author list (cited authors)

• Abdelhafez, O. M., Amin, K. M., Ali, H. I., Abdalla, M. M., & Batran, R. Z.

citation count

• 24

complete list of authors

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

publication date

• January 2013

publisher

• Elsevier  Publisher

published in

• Neurochemistry International: the journal for the publication of cellular and molecular aspects of neurochemistry  Journal

keywords

• Coumarins
• MONOAMINE OXIDASE
• Models, Molecular
• Molecular Docking Simulation
• Monoamine Oxidase Inhibitors

PubMed Central ID

• 23182697

Digital Object Identifier (DOI)

• 10.1016/j.neuint.2012.11.005

start page

• 198

end page

• 209

volume

• 62

issue

• 2

URL

• http://dx.doi.org/10.1016/j.neuint.2012.11.005