UNLOCKing next generation computer-guided Enzyme Discovery and Design.

Projektinformationen

UNLOCK-EDD

ID Finanzhilfevereinbarung: 873593

DOI

10.3030/873593

Projekt abgeschlossen

EK-Unterschriftsdatum 10 September 2019

Startdatum 1 Oktober 2019

Enddatum 31 März 2022

Finanziert unter

• INDUSTRIAL LEADERSHIP - Innovation In SMEs

Gesamtkosten

€ 1 859 281,25

EU-Beitrag

€ 1 301 496,88

Koordiniert durch

ZYMVOL BIOMODELING SL
Spain

Periodic Reporting for period 2 - UNLOCK-EDD (UNLOCKing next generation computer-guided Enzyme Discovery and Design.)

Berichtszeitraum: 2021-01-01 bis 2022-03-31

Zusammenfassung vom Kontext und den Gesamtzielen des Projekts

ZYMVOL is start-up specialized in computer-driven biocatalyst discovery and development for the pharmaceutical and fine chemical industry. We harness the power of high-performance computing to identify and optimize custom-made biocatalysts that deliver additional value. The major problem being addressed by the UNLOCK-EDD project is improvement of computational methodologies, capable of addressing enzyme discovery and design campaigns in a time and cost-efficient manner. Furthermore, we are also introducing new custom-made enzymes that solve specific industrial problems.
Biocatalysts are enzymes that accelerate industrial chemical reactions and have multiple applications for the synthesis of chemical compounds. The main benefits of the use of enzymes with respect to standard catalysis are related with their ability to work at low temperatures, atmospheric pressure and deliver high purity products with a minimal use of water and resources. These factors have a huge impact on the environment and in the future, most products should be obtained through biocatalysis. Furthermore, due to the highly technical profile of our employees we are addressing and important problem of our society: maintaining the talent in the South of Spain. Our company impacts not only the production of goods but also is a pillar in the bioeconomy.
The overall objectives of the project are:
Technical: 1) Improve predictability and production capacity through the integration of artificial intelligence algorithms; 2) Develop software module for the discovery and design of special purpose-enzyme kits (ZYME-Kit) and their testing in appropriate industrial environment.
Commercial: 1) Software Upgrading & Automation – Deployment into ZYMEVOLVER; 2) Regulatory compliance. 3) Perform dissemination and communication actions; 4) International growth.

Arbeit, die ab Beginn des Projekts bis zum Ende des durch den Bericht erfassten Berichtszeitraums geleistet wurde, und die wichtigsten bis dahin erzielten Ergebnisse

In this 15month period we have been able to effectively incorporate artificial intelligence into our enzyme design pipeline and begin automating our software. We can already observe an increase in the predictability of our algorithms and increase in the production of computational enzyme variants by 5-10 fold.
In addition to the enzyme engineering software, we are developing a new product “ZYME-Kit” which consists of computer-driven selected enzymes to be delivered to customers targeting a set of similar substrates. This work is currently in experimental validation stage. We have successfully achieved ISO 27001 and 9001 certifications. We have deployed our new webpage and participated in fairs, exhibitions, and conferences as part of our communication, dissemination and business development activities.

Fortschritte, die über den aktuellen Stand der Technik hinausgehen und voraussichtliche potenzielle Auswirkungen (einschließlich der bis dato erzielten sozioökonomischen Auswirkungen und weiter gefassten gesellschaftlichen Auswirkungen des Projekts)

When the UNLOCK-EDD project started in 01/10/2019 our software was already capable of engineering enzymes successfully but we aimed at improving the prediction and production capacities. Although, the software already used methodologies which were at the cutting edge of their fields we have continued improving the functionalities by adding for example ab initio folding prediction. The most significant improvement is however, the incorporation of experimental data through machine leaning methodologies. This combination of molecular modelling and artificial intelligence approaches put at the limit of the state of the art in the field.
The improved methodologies will have an impact on the quality of the results provided to our customers.
By the end of the project, we expect to have in our portfolio 2 new enzyme kits available. These enzymes will solve specific industrial problems that are currently missing in the market.
These new enzymes will impact the enzyme market by promoting the use of biocatalysts in unexplored areas.
In general, the development of more and better biocatalyst has an effect in society, environment and in a complete transition to a true circular bioeconomy.

Unlocking the power of biocatalysts through computer simulations