Efficacy of compounds used in mosquito repellents (DEET, picaridin, prallethrin and IR3535) against odorant binding protein (OBP20) of Anopheles gambiae: A molecular docking study

Abstract

The study is to use AutoDock software to determine the binding affinity or binding energy of DEET, picaridin, prallethrin, and IR3535 components with the odorant receptor of the Anopheles gambiae say (Diptera, Culicidae) mosquito species. The binding energy (ÄG) of prallethrin was determined to be highest at -10.55 kcal/mol followed by picaridin at -7.1 kcal/mol, DEET at -6.57 kcal/mol and IR3535 at -5.6 kcal/mol being the lowest among all. By comparing their binding energy levels after AutoDocking, it is to decide which mosquito repellent is the most effective.