Patent ID: 7653495

Claim:
A method of identifying a compound that is an allosteric modulator of an intermolecular interaction between a target protein and a proteinaceous modifier at a functionally critical site of said target protein, which comprises: a) identifying an allosteric cavity on the target protein that is within about 15 to 20 angstroms of said functionally critical site on the target protein, wherein said target protein is a membrane-bound protein, a cytosolic protein, a nuclear protein, a cytokine, a lymphokine, a chemokine, an adhesion molecule, a growth factor, or a receptor thereof; b) calculating the dimensions of said cavity and mapping the chemical and/or electrostatic properties of said cavity; c) utilizing the calculated dimensions, chemical and/or electrostatic properties obtained in step b) to identify compounds that contain at least one functional group that can be accommodated by said cavity; d) testing said compounds in an in vitro assay to detect a compound which modulates the interaction at the functionally critical site between said target protein and said proteinaceous modifier; thereby identifying said compound that is an allosteric modulator of said intermolecular interaction at said functionally critical site.