Dopamine release and molecular modeling study of some coumarin derivatives

作者：Abdelhafez Omaima M^*; Amin Kamelia M; Ali Hamed I; Maher Timothy J; Batran Rasha Z

来源：Neurochemistry International, 2011, 59(6): 906-912.

DOI：10.1016/j.neuint.2011.08.004

• Coumarin
• Dopamine release
• Molecular modeling

4-ary1-2-amino-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-pyridin-3-carbonitrile (1), 4-aryl-2-oxo-6-(4hydroxy-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 0(3 implemented in the AutoDock program revealed identical correlation with the experimental results to that obtained binding free energy (Delta 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).

• 出版日期2011-11