ICOX2: An open source and offline graphical-user-interface application to identify cyclooxygenase-2 inhibitors

Very recently, in silico test protocols to identify marginal and potent inhibitors for cyclooxygenase-2 (COX-2) enzyme have been validated and published. In this article, the development of a graphical-user-interface (GUI) application to identify COX-2 inhibitors based on those protocols is presented. Together with the validated protocols, this open source and offline application are mainly powered by BKChem 0.13.0 to synthesize the test compound in silico and Zenity 3.18.1.1 to display GUI dialogs of the process and the output. The development and alpha-test of the GUI application were performed under LinuxMint 18.3, a GNU/Linux desktop distribution. The alpha tests were performed by subsequently employing the GUI application to test an active compound mainly found in red wine resveratrol. The results showed that the GUI application worked perfectly and predicted the activity of resveratrol as a marginal inhibitor for COX-2.