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

Stephan Vrabl; Klara Bangert; Enrico F. Semeraro; Wolfgang Kroutil

doi:10.1039/d6gc01139j

January 1, 2026Green ChemistryOpen Access

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

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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.

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Implication

Combination of computational tools and rational design enhances CYP152 peroxygenase for fatty acid modification, suggesting new biotechnological applications.

Abstract

Enzymes of the CYP152 family have the potential to upgrade fatty acids to α-hydroxy acids by regio-and stereoselective hydroxylation using hydrogen peroxide as the oxidant and forming water as the...

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Vrabl et al. (2026) studied this question.

synapsesocial.com/papers/69d896046c1944d70ce072d9 https://doi.org/10.1039/d6gc01139j

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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

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

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

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

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