Enzymatic synthesis of (S)-glutaric acid monoesters aided by molecular docking

An efficient enzymatic method for the synthesis of (S)-3-substituted glutaric acid monoesters which was aided by molecular docking has been described. The reaction was proceeded under mild conditions, and the desired products were afforded with up to 98% ee in the yield of 93%. The results demonstrate that molecular docking is efficient to facilitate selection of substrates in enzymatic reaction.