Inhibition of Lipase by Orlistat: Kinetics Combined with <i>In Silico</i> Approaches to Visualize Interactions
María Fernanda Candela, Nelson Enrique Arenas, Obradith Caicedo Orjuela, Andrés Malagón
Abstract
The inhibition of porcine pancreatic lipase by the drug orlistat was studied through a series of activities that combine experimental and computational procedures. The enzymatic activity of the lipase was determined by measuring enzyme kinetics and calculating parameters such as Km and Vmax from experimental data. Assays of lipase inhibition by orlistat were used to construct Linewaver–Burk and Dixon plots. Docking calculations are highly recommended to visualize the enzyme–ligand interactions and as an approach to decipher the inhibitor mechanism of action. Furthermore, sequence analysis was included to compare enzyme structures across different organisms, specifically between human and pig as closely related study models, and complement the docking simulations. The educational project proposed here for biochemistry or pharmacy students can enhance the understanding of concepts regarding enzyme kinetics, binding sites, and enzyme–ligand interactions through visualizations.