Dopamine release and molecular modeling study of some coumarin derivatives. Academic Article

abstract

• 4-aryl-2-amino-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-pyridin-3-carbonitrile (1), 4-aryl-2-oxo-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-pyridin-3-carbonitriles (2a-2c), 3-(6-aryl-1,2,5,6- tetrahydro-2-thioxopyrimidin-4-yl)-4-hydroxy-2H-chromen-2-one (3a, 3b) and pyrazol-3-yl-4-hydroxycoumarin derivatives (4a-4c, 5, 6a, 6b, 7a, 7b, and 8a-8c) were prepared in order to measure their % change dopamine release in comparison to amphetamine as reference, using PC-12 cells in different concentrations. In addition, the molecular modeling study of the compounds into 3BHH receptor was also demonstrated. The calculated inhibition constant (k(i)) implemented in the AutoDock program revealed identical correlation with the experimental results to that obtained binding free energy (G(b)) as both parameters revealed reasonable correlation coefficients (R(2)) being 0.51 involving 10 compounds; (1, 2b, 2c, 3a, 3b, 4a, 4b, 6a, and 8c).

authors

• Ali, Hamed

published proceedings

• Neurochem Int

author list (cited authors)

• Abdelhafez, O. M., Amin, K. M., Ali, H. I., Maher, T. J., & Batran, R. Z.

citation count

• 13

complete list of authors

• Abdelhafez, Omaima M||Amin, Kamelia M||Ali, Hamed I||Maher, Timothy J||Batran, Rasha Z

publication date

• November 2011

publisher

• Elsevier  Publisher

published in

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

keywords

• 4-hydroxycoumarins
• Animals
• Dopamine
• Energy Metabolism
• Humans
• Models, Chemical
• Models, Molecular
• Neurons
• PC12 Cells
• Rats
• Stereoisomerism

PubMed Central ID

• 21871512

Digital Object Identifier (DOI)

• 10.1016/j.neuint.2011.08.004

start page

• 906

end page

• 912

volume

• 59

issue

• 6

URL

• http://dx.doi.org/10.1016/j.neuint.2011.08.004