METHOD OF IDENTIFYING CRITICAL POINTS WITHIN PROTEIN-PROTEIN INTERACTIONS

摘要

A method is disclosed for identifying compound defined by pharmacophores which compound affect protein-protein interactions. The method involves determining functional residues of at least one protein of a protein-protein interaction of interest. Three-dimensional structures are then developed based on the positions of the functional residues. The three-dimensional structures are then compared against compounds which have calculatable tertiary structures in order to identify compounds having a spatial orientation consistent with functionally relevant portions of a protein of the protein-protein interaction of interest.