Comparative Molecular Modeling of Insect Glutathione S-Transferases

The evolution of resistance by an insect to an insecticide may involve several mechanisms. Many studies have shown that insecticide-resistant insects have elevated levels of glutathione S-transferases activity in crude homogenates, which suggests a role for GSTs in resistance. This prompted us to select the GSTs from H.armigera, L.lineolaris and M.sexta due to their economic importance. The 3D models for the GSTs from the insects were built using Modeller9V7, structure comparison between the GSTs was done using SwissPDBViewer and the models were docked with Piperonyl Butoxide (PB), TagitininC (TC), a phytochemical from T.diversifolia, Plumbagin (PL) and a comparative docking analysis was done. The results indicate that the compounds Piperonyl Butoxide was found to be more feasible in terms of docking energy closely followed by Tagitinin C and can be used in sync as potential regulator of insect GST activity.