Molecular Docking Studies on the Interaction of 2-Arylpropionate Esters with Candida rugosa Lipase

Abstract

The interaction between ethyl 2-arylpropiolates and Candida rugosa lipase was studied by enantioselective hydrolysis and molecular docking. The ethyl 2-arylpropiolates with the lowest binding energy was selected to investigate the molecular mechanism of enzyme mediated asymmetric catalysis mechanism.