A computational predictive model for nanozyme diffusion dynamics: optimizing nanosystem performance

Purpose: Enzymes play a pivotal role in orchestrating essential biochemical processes and influencing various cellular activities in tissue. This paper aims to provide the process of enzyme diffusion within the tissue matrix and enhance the nano system performance by means of the effectiveness of enzymatic functions. The diffusion phenomena are also documented, providing chemical insights into the complex processes governing enzyme movement. Design/methodology/approach: A computational analysis is used to develop and simulate an optimal control model using numerical algorithms, systematically regulating enzyme concentrations within the tissue scaffold. Findings: The accompanying videographic footages offer detailed insights into the dynamic complexity of the system, enriching the reader’s understanding. This comprehensive exploration not only contributes valuable knowledge to the field but also advances computational analysis in tissue engineering and biomimetic systems. The work is linked to biomolecular structures and dynamics, offering a detailed understanding of how these elements influence enzymatic functions, ultimately bridging the gap between theoretical insights and practical implications. Originality/value: A computational predictive model for nanozyme that describes the reaction diffusion dynamics process with enzyme catalysts is yet not available in existing literature.