Doing the impossible: Enzyme-catalyzed Diels-Alder reaction
Thursday, April 9, 2015 - 12:30
in Physics & Chemistry
A computational study focused on the mechanistic pathway of the SpnF-catalyzed cycloaddition reaction leading to Spinosyn A -- tetracyclic natural insecticide produced by the cells of the bacterium Saccharopolyspora spinosa. Computational modeling revealed energetically balanced reaction coordinate of the studied process and highlighted new possibilities for enzymatic catalysis of cycloaddition reactions.