Connecting chemical and protein sequence space to predict biocatalytic reactions.

ABSTRACT: The application of biocatalysis in synthesis has the potential to offer streamlined routes towards target molecules¹, tunable catalyst-controlled selectivity², as well as processes with improved sustainability³. Despite these advantages, biocatalysis is often a high-risk strategy to implement, as identifying an enzyme capable of performing chemistry on a specific intermediate required for a synthesis can be a roadblock that requires extensive screening of enzymes and protein engineering to overcome⁴. Strategies for predicting which enzyme and small molecule are compatible have been hindered by the lack of well-studied biocatalytic reaction datasets⁵. The underexploration of connections between chemical and protein sequence space constr

SUBMITTER: Paton AE 

PROVIDER: S-EPMC12488478 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature