Boosting D-Fructose-6-Phosphate Hydrolase Activity via In Silico Engineering

Boosting D-Fructose-6-Phosphate Hydrolase Activity via In Silico Engineering

D-fructose-6-phosphate hydrolase is an essential enzyme involved in various metabolic pathways and has significant potential for industrial applications, including biofuel production and food processing. Enhancing its catalytic activity is crucial for optimizing these processes.

This study utilizes a powerful computational approach, in silico engineering, to design a more efficient D-fructose-6-phosphate hydrolase. By employing molecular modeling, docking simulations, and molecular dynamics, we first gain a deeper understanding of the enzyme's structure-function relationship.

Next, we identify key amino acid residues critical for substrate binding and catalytic activity. We then introduce targeted mutations in silico to optimize these interactions. Our computational analysis reveals several promising mutations predicted to enhance enzyme activity.

This research provides valuable insights into the molecular mechanism of D-fructose-6-phosphate hydrolase and paves the way for developing engineered enzymes with improved activity for various industrial applications. The identified mutations serve as a starting point for further experimental validation and optimization.