Pyrethrin; derived from natural source (Chrysanthemum cinerariifolium) confirmed as a fundamental nucleus for the development of pyrethroids which ultimately resulted in the outstanding insecticidal activity by targeting the nervous systems of insects. To date, the binding and entry mechanism by which RSV infects respiratory epithelial cells is not still well understood and need to be explored. Notably, pyrethrins have exhibited considerable antiviral potential & thus an effort was made computationally to evaluate the pyrethroids as hopeful inhibitors of Respiratory Syncytial Virus (RSV). Type 1 & type 2 Pyrethroids were subjected to docking simulations by using Maestro 9.2 version (Schrodinger LLC). Cyfluthrin showed better binding interactions against RSV (Glide score: -4.54). Remarkably, it showed two hydrogen bonding interactions with Lys46 (1.82 Å) & Hie151 (2.19 Å) of RSV protein receptor. The decrease in glide score is evidence for greater bond stability with protein. Based on the current findings, these studies in future may act as effective predecessor tool to further validate pyrethroids with wet lab experiments as capable antiviral agents for RSV.
Previous Article in event Previous Article in session
Next Article in event Next Article in session
COMPUTATIONAL PREDICTION OF PYRETHROIDS AS PROMISING AGENTS AGAINST RESPIRATORY SYNCYTIAL VIRUS: A COMPARATIVE STUDY
Published: 01 November 2016 by MDPI in The 20th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistry
Keywords: Pyrethroids, respiratory syncytial virus, docking