DOI: 10.21276/sajp.2017.6.10.1

Pages: 413-422

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.