Understanding Thermal and Organic Solvent Stability of Thermoalkalophilic Lipases: Insights from Computational Predictions and Experiments

The study enclosed herein reports computational and experimental findings on the active and inactive conformations of the lipase from the family I.5. Given their high stability under extreme conditions, this lipase family, also called thermoalkalophilic liapses, are of high potential for industrial reactions. To this end, this study investigated the structural impact of 5 different organic solvents that are commonly used in industrial reactions, on the active and inactive conformations in silico. These findings were validated by the experiments which recruited the recombinant enzyme and analyzed organic solvent stability at different temperatures.