Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

Computational rational design of unspecific peroxygenase for C-H oxidation.

Science advances - 30 Jan 2026

Gao Ruichen, Fu Xiaodi, Li Zonglin, Wang Zhiyao, Li Guanjian, Ge Jun, Hollmann Frank, Wang Zhanfeng, Lou Wen-Yong, Wu Xiaoling

Abstract excerpt

Computational rational design has emerged as a transformative approach to engineer enzymes with tailored selectivity and efficiency. In the context of carbon-hydrogen oxidation, a key challenge in synthetic chemistry, unspecific peroxygenases (UPOs) directly oxidize unactivated carbon-hydrogen bonds using hydrogen peroxide, yet their utility is limited by low activity and imperfect selectivity. By computational...

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to Biocatalysis
Share to Carbon
Share to Hydrogen

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to Hydrogen Peroxide

Share to Mixed Function Oxygenases

Share to Models, Molecular

Share to Oxidation-Reduction

Share to Protein Engineering

Source

Open in PubMed Open full text

Identifiers

PMID: 41616059
DOI: 10.1126/sciadv.aeb6329
PMCID: PMC12857729

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 5 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Computational rational design of unspecific peroxygenase for C-H oxidation.PMID 41616059Read ↗

Breaking the Stability-Activity-Selectivity Trilemma in Unspecific Peroxygenase through Computation-Based Cross-Regional Combinatorial Mutagenesis.Semantic proximity Read ↗

Enantiocomplementary Epoxidation Reactions Catalyzed by an Engineered Cofactor-Independent Non-natural Peroxygenase.Semantic proximity Read ↗

Peroxygenases en route to becoming dream catalysts. What are the opportunities and challenges?Semantic proximity Read ↗

Exploring the Role of Phenylalanine Residues in Modulating the Flexibility and Topography of the Active Site in the Peroxygenase Variant PaDa-I.Semantic proximity Read ↗

Functional Expression of Two Unusual Acidic Peroxygenases from Candolleomyces aberdarensis in Yeasts by Adopting Evolved Secretion Mutations.Semantic proximity Read ↗

Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE.Semantic proximity Read ↗

Shuffling the Neutral Drift of Unspecific Peroxygenase in Saccharomyces cerevisiae.Semantic proximity Read ↗

Using Data Science for Mechanistic Insights and Selectivity Predictions in a Non-Natural Biocatalytic Reaction.Semantic proximity Read ↗

Redox robustness drives LPMO evolution.Semantic proximity Read ↗

Repurposed and artificial heme enzymes for cyclopropanation reactions.Semantic proximity Read ↗

Structural basis for divergent C-H hydroxylation selectivity in two Rieske oxygenases.Semantic proximity Read ↗

Unlocking the function promiscuity of old yellow enzyme to catalyze asymmetric Morita-Baylis-Hillman reaction.Semantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.