The Sabatier principle as a tool for discovery and engineering of industrial enzymes

The recent breakthrough in all-atom, protein structure prediction opens new avenues for a range of computational approaches in enzyme design. These new approaches could become instrumental for the development of technical biocatalysts, and hence our transition toward more sustainable industries. Here, we discuss one approach, which is well-known within inorganic catalysis, but essentially unexploited in biotechnology. Specifically, we review examples of linear freeenergy relationships (LFERs) for enzyme reactions and discuss how LFERs and the associated Sabatier Principle may be implemented in algorithms that estimate kinetic parameters and enzyme performance based on model structures.

Automated summary

The recent breakthrough in all-atom, protein structure prediction has opened up new computational approaches in enzyme design. These approaches have the potential to significantly contribute to the development of technical biocatalysts and facilitate the transition to more sustainable industries. This article discusses the implementation of linear free energy relationships (LFERs) and the Sabatier Principle in algorithms for predicting enzyme kinetic parameters and performance based on model structures.