Relationship Between Matrix Metalloproteinase-2 Inhibition Constants With APP-IP Oligopeptide and Its Mutant Forms and Electronic Binding Descriptors

The electron density descriptors are calculated for the complexes of metalloproteinase-2 with the APP-IP inhibitor and its mutant forms, and it is shown that the electron localization function (ELF) of the coordination bond of the zinc cation and the ligand atom shows differences in the experimentally observed inhibition constants.