Patent ID: 6083711
Filing Date: 2000-07-04
Classification: A61K,A61P,C12N

Abstract:
A method of identifying a candidate inhibitor compound capable of binding to, and inhibiting the proteolytic activity of, an alpha, or beta herpes protease, said method comprising:a) introducing into a computer program information derived from atomic coordinate defining an active site conformation of a herpes protease molecule based upon three-dimensional structure determination comprising a catalytically active site formed by at least the interaction of three amino acids Serine, Histidine and Histidine, wherein said program utilizes or displays the three-dimensional structure thereof;b) generating a three dimensional representation of the active site cavity of said protease in said computer program;c) superimposing a model of the inhibitor test compound on the model of said active site of said protease;d) assessing whether said test compound model fits spatially into the active site of said protease;e) incorporating said test compound in a protease activity assay for a protease characterized by said active site of said protease, or an antiviral assay for an alpha or beta herpes virus; andf) determining whether said test compound inhibits proteolytic activity, or the herpes virus in said assay.