investigating the potential of anti -inflammatory properties of fluphenazine by using statistical model of molecular docking and its application for drug design

The main cause of inflammation is the protein cyclooxygenase-2 (cox-2) known as the majorprostaglandin synthetase enzyme [1]. thymoquinone, which is found as a phytochemicalcompound in nigella stiva plants, has an anti-inflammatory property. fluphenazine is a typicalantipsychotic of the phenothiazine class .its mechanism of action is not entirely clear, but isbelieved to be related to its ability to block dopamine receptors [2]. in this paper, the moleculardocking process was carried out by employing the autodock 1.5.6 method that was using thelamarckian genetic algorithm as the score function. the lower the value of δg is indicated thebetter binding affinities between the target and the novel ligand molecule. the results from themolecular docking study showed that fluphenazine and thymoquinone is bound strongly to theactive site region of cox-2 with binding energy of -7.8 and -6.1, respectively. it has been foundthat fluphenazine has a more powerful inhibitory effect on cox-2, so it can be used as a potentialanti-inflammatory for drug design.