Patent ID: 7386398
Filing Date: 2008-06-10
Classification: A61P,C07K,C12N

Abstract:
1. A method of identifying a compound that may bind to HCV NS5B, comprising the steps of: a) obtaining the structural coordinates of one of b) applying a 3-dimensional molecular modeling algorithm to the structural coordinates of an HCV NS5B binding pocket defined by the structural coordinates of at least amino acid residues 392, 393, 395, 396, 399, 424, 425, 428, 429, 492, 493, 494, 495, 500 and 503, and optionally one of: amino acid residues 37 and 496, of native HCV NS5B as shown in said Figure to determine the spatial coordinates of the binding pocket of HCV NS5B; and c) electronically screening stored spatial coordinates of the compound against the spatial coordinates of the HCV NS5B binding pocket to determine if the compound binds within the HCV NS5B binding pocket, wherein a compound identified by the electronic screening as a compound that binds to NS5B is identified as a compound that may bind to HCV NS5B.