Dopamine release and molecular modeling study of some coumarin derivatives

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• 作者：Omaima M. Abdelhafez^a ;   ; ^{ommryan@yahoo.com} ; Kamelia M. Amin^b ; Hamed I. Ali^c ; Timothy J. Maher^d ; Rasha Z. Batran^a
• 关键词：Coumarin ; Dopamine release ; Molecular modeling
• 刊名：Neurochemistry International
• 出版年：2011
• 出版时间：November 2011
• 年：2011
• 卷：59
• 期：6
• 页码：906-912
• 全文大小：704 K

文摘

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?b xmlns="""">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?b xmlns="""">4c, 5, 6a, 6b, 7a, 7b, and 8a?b xmlns="""">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 (R²) being 0.51 involving 10 compounds; (1, 2b, 2c, 3a, 3b, 4a, 4b, 6a, and 8c).