Combining Rational Design and Computational Tools in Multi-Parameter Enzyme Engineering to Increase the Fitness of a CYP152 Peroxygenase for α-Hydroxylation of Fatty Acids

Key Points

• The aim is to enhance the fitness of CYP152 peroxygenase for specific fatty acid hydroxylation.
• Utilized rational design techniques alongside computational tools for enzyme engineering.
• Focused on regioselective and stereoselective hydroxylation of fatty acids.
• Applied hydrogen peroxide as the oxidant.
• Achieved increased efficiency in transforming fatty acids to α-hydroxy acids.
• Demonstrated improved regio- and stereoselectivity in the enzymatic reactions.