NATURE OF POLYETHYLENEIMINE-GLUCOSE OXIDASE INTERACTIONS

Abstract

The nature of interactions between Polyethylenimine and glucose oxidase 3QVR enzyme was studied by docking and Molecular dynamics procedures. The docking procedure evidenced two active sites, one located inside the enzyme body and the second at the enzyme surface. In view of deeply understand the interactions ligand – enzyme, a molecular dynamics study followed to the docking. This provided a detailed information on the type, intensity and frequency of these interactions.

Keywords

• PEI, 3QVR, Glucose oxidase (GOx), Docking, Molecular Dynamics