Patent ID: 8019557
Filing Date: 2011-09-13
Classification: A61K,A61P,G01N

Abstract:
1. A method of identifying a compound that is an allosteric modulator of an intermolecular interaction between a β-lactamase and a substrate at a functionally critical site of said β-lactamase which comprises: a) identifying an allosteric cavity on the β-lactamase that is within about 15 to 20 angstroms of said functionally critical site on the β-lactamase; 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 β-lactamase and said substrate; thereby identifying said compound that is an allosteric modulator of said intermolecular interaction at said functionally critical site.