Dopamine release and molecular modeling study of some coumarin derivatives |
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Authors: | Abdelhafez Omaima M Amin Kamelia M Ali Hamed I Maher Timothy J Batran Rasha Z |
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Affiliation: | a Chemistry of Natural Products Dept., National Research Centre, Dokki, Egypt b Pharmaceutical Chemistry Dept., Faculty of Pharmacy, Cairo University, Egypt c Pharmaceutical Chemistry Dept., Faculty of Pharmacy, Helwan University, Egypt d Massachusetts College of Pharmacy and Health Science, Boston University, Boston, MA, USA |
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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 (ki) implemented in the AutoDock program revealed identical correlation with the experimental results to that obtained binding free energy (ΔGb) as both parameters revealed reasonable correlation coefficients (R2) being 0.51 involving 10 compounds; (1, 2b, 2c, 3a, 3b, 4a, 4b, 6a, and 8c). |
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Keywords: | PC12, pheochromocytoma PKA, protein kinase A CaMK II, Ca2+/calmodulin-dependent protein kinases II L-DOPA, L-3,4-dihydroxyphenylalanine TH, tyrosine hydroxylase BuChE, butyrylcholinesterase AD, Alzheimer&rsquo s disease DA, dopamine AMPH, amphetamine PKC, protein kinase C |
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