Modeling and In-Silico Evaluation of Some Flavonoids as Cyclooxygenases Inhibitors Phytochemicalsognes
Journal Title: Scholars Academic Journal of Pharmacy - Year 2017, Vol 6, Issue 10
Abstract
In the inflammation process, the enzyme cyclooxygenase-2 expressed and its function is prostaglandins synthesis of from arachidonic acid so that to inhibit inflammation proses, COX-2 must be inhibited. In current research a twenty-six flavonoids compounds included flavonols (n= 10), flavones (n= 7) and anthocyanins (n= 9) were studied to predict their affinity to attach to the active site of both COX-1 and COX-2 enzymes and to predict the selectivity of each compound to COX-2, this done using docking method. Docking simulation for each compound done using 1-click docking tool. Some of the studied compound (n= 13 ) had strong predicted affinity to COX-2 combined with strong affinity to COX-1, so that they are non-selective inhibitors, additionally, an exception was found for Rosinidin and Pulchellidin which tends to bind to COX-2 with stronger affinity than COX-1, as (-8.1, -7.6,) and (-6.5, -5.2, -2.8) respectively. Keywords:inflammation, cyclooxygenase-2, flavonoids ,Pulchellidin, Rosinidin.
Authors and Affiliations
HaifaaRasheed Muhsin
Keywords
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