Is literature data useful for identifying enzyme catalysts for new substrates? A case study on reduction of 1-aryl-2-alkanoates
Journal article, Peer reviewed
Submitted version
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http://hdl.handle.net/11250/2465614Utgivelsesdato
2017Metadata
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- Institutt for kjemi [1352]
- Institutt for materialteknologi [2495]
- Publikasjoner fra CRIStin - NTNU [37177]
Sammendrag
The use of literature data to identify catalysts for a novel transformation is a commonly used approach. Herein, we have evaluated if this is a viable strategy in enzyme catalysis, using asymmetric reduction of 1-aryl-2-alkanoates as a model system. The study, which includes data from 24 ketone substrates and 108 enzymes, clearly identifies pitfalls with this approach, but anyhow shows that literature data is highly useful for identification of enantioselective catalysts. By combining data for selectivity and rate useful catalyst for converting different substrates to their corresponding (R)- and (S)-enantiomers are highlighted.