Boosting D-Fructose-6-Phosphate Hydrolase Activity: An In Silico Engineering Approach

Boosting D-Fructose-6-Phosphate Hydrolase Activity: An In Silico Engineering Approach

This study focuses on enhancing the catalytic activity of D-fructose-6-phosphate hydrolase, a key enzyme with applications in various biotechnological processes. We employed an in silico engineering approach, combining computational modeling and simulations, to design and optimize the enzyme for improved activity.

Through molecular dynamics simulations and advanced computational analysis, we gained crucial insights into the enzyme's structure-function relationship. We identified key amino acid residues involved in substrate binding and catalysis. Based on these insights, we designed a series of targeted mutations aimed at enhancing enzyme activity.

Our computational predictions were validated through in vitro experiments, demonstrating significant improvements in D-fructose-6-phosphate hydrolase activity. The engineered enzyme exhibited increased catalytic efficiency and substrate affinity, highlighting the effectiveness of our in silico engineering approach.

This study provides a framework for engineering D-fructose-6-phosphate hydrolase with enhanced activity, paving the way for its application in diverse fields. Our findings highlight the power of computational tools in enzyme engineering and provide valuable insights into the molecular mechanisms governing enzyme catalysis.