N-SILICO-SCREENING FOR DOCKING ON SUB-DOMAIN IIID OF HCV-IRES

摘要

A model structure of sub-domain IIId of the hepatitis C virus internal ribosome entry site has been elucidated. The invention provides an iin silico/i method for identifying a compound that interacts with sub-domain IIId, comprising the steps of: a) providing atomic co-ordinates of said sub-domain IIId in a storage medium on a computer; and b) using said computer to apply molecular modelling techniques to said co-ordinates. Suitable methods include ide novo/i compound design, use of a pharmacophore, and automated docking algorithms.