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 major prostaglandin synthetase enzyme [1]. Thymoquinone, which is found as a phytochemical compound in Nigella Stiva plants, has an anti-inflammatory property. Fluphenazine is a typical antipsychotic of the phenothiazine class .Its mechanism of action is not entirely clear, but is believed to be related to its ability to block dopamine receptors [2]. In this paper, the molecular docking process was carried out by employing the Autodock 1.5.6 method that was using the Lamarckian genetic algorithm as the score function. The lower the value of ΔG is indicated the better binding affinities between the target and the novel ligand molecule. The results from the molecular docking study showed that Fluphenazine and thymoquinone is bound strongly to the active site region of COX-2 with binding energy of -7.8 and -6.1, respectively. It has been found that Fluphenazine has a more powerful inhibitory effect on COX-2, so it can be used as a potential anti-inflammatory for drug design.