AI Revolutionizes Enzyme Design: Tailor-Made Catalysts for a Greener Future

Scientists at Baker Lab have pioneered a method using AI to design custom enzymes, proteins that accelerate chemical reactions, with unprecedented precision. The team, led by Sam Pellock, Anna Lauko, and Kiera Sumida, successfully created serine hydrolases, enzymes that break ester bonds, unlike any found in nature. These AI-designed enzymes demonstrated efficient binding and cleaving of ester compounds, validated through in silico modeling and lab testing. Over 300 computer-generated proteins were tested, with several exhibiting high catalytic efficiency, surpassing previous computationally designed esterases. Structural analysis confirmed the enzymes closely matched their intended architectures. Kiera Sumida is applying these methods to plastic degradation, showcasing the potential for a greener economy. This breakthrough, supported by various US institutions, marks a significant advancement in enzyme engineering, enabling the creation of tailor-made catalysts for diverse applications, from pharmaceutical production to microplastic breakdown.