Prediction method and method for designing compounds that can be candidates for inhibitors that inhibit the interface of protein-protein interaction using the prediction method

摘要

PROBLEM TO BE SOLVED: To provide a method for predicting a bonding position of an inhibitor which inhibits an interface of protein-protein interaction, and a method for designing the inhibitor.SOLUTION: The prediction method includes the processes of: acquiring structure information of protein performing known protein-protein interaction and a known inhibitor which inhibits an interface of the interaction; selecting residues from the structure information; extracting two arbitrary residues from among the selected residues and creating a regression line; acquiring structure information of a target protein to be predicted and its partner protein; selecting residues from the structure information; extracting two arbitrary residues from among the selected residues, and determining whether or not the two arbitrary residues can be candidates for a position at which a model inhibitor binds to the protein to be predicted; and predicting a position at which the model inhibitor binds to the protein to be predicted.SELECTED DRAWING: Figure 4