Enzyme engineering publication abstract

State-of-the-art enzyme engineering by structure-based modelling techniques

Enzymatic processes are key to providing biotechnological solutions in the immediate future of our society, tackling clean energy production, bioremediation, waste transformation and green chemistry, for example.

Over the last years, our co-founder Prof. Victor Guallar has led the development of computational tools to investigate, engineer and design enzymes to improve properties toward case-specific goals such as substrate specificity or promiscuity, thermal stability, increased activity, etc. Industry relevant esterases, laccases, peroxidases and oxidases are examples of enzymes that have been engineered using our in-house proprietary software PELE (Protein Energy Landscape Exploration), a fast and accurate method to carry out substrate exploration while simultaneously performing protein structure prediction. In particular, one of the most striking case studies is the development of PluriZymes, which involve designing de novo active sites to increase the enzymatic activity or use one-pot cascade reactions.

All these findings, together with the protocol followed, are presented and discussed in the new article published by Prof. Victor Guallar’s team as part of The Journal of Physical Chemistry virtual special issue “Computational Advances in Protein Engineering and Enzyme Design”.

The investigations presented in this article should motivate conducting an early in silico phase in most enzyme engineering campaigns in order to increase the prediction/success ratio. At Nostrum Biodiscovery we employ those protocols and software to fulfill the requirements of our clients and provide fast, accurate and efficient enzyme design services.

Structural-Based Modeling in Protein Engineering. A Must Do