Intelligent enzyme design and hybrid catalytic systems: Driving innovation in biocatalysis

Enzyme engineering has emerged as a pivotal technology driving advances in biocatalysis, environmental remediation, and green chemistry. It is undergoing a transformative shift, propelled by the synergistic integration of artificial intelligence (AI) and innovative hybrid catalytic strategies. This review provides a comprehensive overview of recent progress in the field, emphasizing the optimization and advantages of enzyme-based catalytic systems. It examines how AI has revolutionized enzyme design, enabling unprecedented precision and efficiency. Furthermore, the integration of enzymatic catalysis with thermochemical, photochemical, and electrochemical principles is discussed, highlighting synergistic strategies that enhance reaction performance and expand application scope. Together, the convergence of AI-guided design with chemo-enzymatic, photoenzymatic, and electroenzymatic strategies is forging a new frontier in biocatalysis, offering sustainable and efficient solutions to synthetic challenges across pharmaceuticals, green chemistry, and renewable energy. Finally, the review considers the implications of these developments for sustainable industrial practices and suggests promising avenues for future research.