P450-catalyzed enantiodivergent kinetic oxidation to access chiral haloalcohols.

Nature Communications · 9 Oct 2026 · Journal Article · Open access

Ma, Cui + more

The abstract is read at the publisher; the summary is JClub's.

Engineered cytochrome P450PL2 enables kinetically enantioselective hydroxylation of (2-chloropropyl)benzene derivatives, achieving up to 99:1 enantiomeric ratio and >99:1 diastereomeric ratio.

Why it matters: Fine control of stereoselectivity is difficult when substituents are highly similar, such as methyl versus chloro groups with only a 0.07 Å radius difference.
What they did: The authors used multiple mutagenesis to improve P450PL2 substrate selectivity and stereoselectivity, supported by molecular dynamics and DFT to infer steric discrimination for methyl/chloro stereocenters.
The result: The biocatalytic system enables enantiodivergent synthesis of haloalcohols with two stereocenters, providing efficient access to 2-chloro-benzyl alcohol derivatives with the reported selectivity.

AI summary of the abstract · may contain errors · not medical advice · read the paper.

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P450-catalyzed enantiodivergent kinetic oxidation to access chiral haloalcohols.

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De novo design of enantioselective artificial metalloenzyme photocatalysts.

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