Molecular Modeling Study of Various Synthetic Jhas Containing Varied Functionality

Virtual screening emerged as an important tool in our quest to access novel pesticides like compounds. The capability to propose feasible ways of binding a putative ligand to a known receptor site is crucial to the structure – based drug design. Molecular docking is one of the most important methods in computer assisted screening of compounds. A docking approach is to “dock” ligand and receptor molecules together in many different ways and then score each orientation by applying different evaluation function. AutoDock 4.2 is an unbiased type docking program in which a ligand finds an optimal position inside the binding cavity of the receptor. In this paper, we reported the protein-ligand interactions using a standard protocol of docking. We have carried out the docking study of a number of synthesized Juvenile Hormone Analogues with receptor binding proteins in order to design targeted JHAs with improved biological activities by understanding their interaction behavior. Among the synthesized derivatives of sulfonamide; 10 th analog showed the comparable behavior in terms of their Binding Energy (B.E.) and Inhibitory constant (Ki) with natural JH III and commercial in use IGRs like Pyriproxyfen and Fenoxycarb.