Exploring the origins of selectivity in soluble epoxide hydrolase fromBacillus megaterium

Epoxide hydrolase (EH) enzymes catalyze the hydration of racemic epoxides to yield their corresponding vicinal diols. In this work, theBacillus megateriumepoxide hydrolase (BmEH)-mediated hydrolysis of racemic styrene oxide (rac-SO) and itspara-nitro styrene oxide (rac-p-NSO) derivative are computationally investigated using density functional theory (DFT).