Bioinspired rational design of nanozymes

Area of Science:

• Nanotechnology
• Biomimetic Chemistry
• Catalysis

Background:

• Nanozymes, artificial enzymes with over 1500 identified nanomaterials, show promise in environmental, industrial, and biomedical fields.
• Current nanozymes face challenges in understanding mechanisms, structure-activity relationships, and reliance on non-specific sites, limiting their efficiency and selectivity.

Purpose of the Study:

• To review natural enzyme mechanisms and structural characteristics.
• To explore bioinspired strategies and rational design principles for nanozyme development.
• To highlight the role of AI and simulations in advancing nanozyme technology.

Main Methods:

• Examining natural enzyme catalytic mechanisms and structures.
• Integrating machine learning for nanozyme kinetics and function analysis.
• Investigating bioinspired design strategies like 3D structure design and cofactor incorporation.

Main Results:

• Identified over 1500 nanomaterials with enzyme-like activities, some surpassing natural enzymes.
• Highlighted the potential of machine learning and AI in understanding nanozyme behavior.
• Showcased bioinspired strategies and rational design for improved nanozyme performance.

Conclusions:

• Nature-inspired design and advanced computational tools are crucial for overcoming nanozyme limitations.
• Artificial intelligence and multiscale simulations offer a theoretical foundation for next-generation intelligent nanozymes.
• Optimized nanozymes hold transformative potential across various scientific and industrial domains.