Isolation and Characterisation of Octa Siloxane from Catharanthus roseus Leaf Extract by Molecular Docking Analysis as Insecticide Against, Aedes vittatus, (Diptera: Culicidae)

Octa siloxane compound was isolated from Catharanthus roseus.and the sequences of three proteins (sterol Career protein, D7 protein and odorant - binding protein) were retrieved from Swissport database. the three-dimensional structure of these proteins was downloaded from PDB Database. The compound octa siloxane isolated and characterized from Catharanthus roseus, has been studied for use as a natural insecticide. The compound was previously evaluated for their bioactive and was found to possess potent larvicidal activity against the fourth instar larvae of Ae. vittatus. the inhibitor octa siloxane with pronounced larvicidal activity was subjected to computational screening and was used as a tool to study the mode of action and molecular mechanism of the selected functional protein. The ligand (compound) structure was drawn using ACD Che Sketch and converted in to PDB format using Open Babel. The 3D structures of proteins were docked with the inhibitor octa siloxane using Patch dock tool. The 2D and 3D chemical structure of the ligand/compound isolated from Catharanthus roseus, was retrieved from PubChem data base.