Structure-based rational design of compounds to inhibit papillomavirus infection

摘要

The invention provides methods of evaluating a compound for the ability to interact with the HPV E6 transforming protein. The invention also provides a machine-readable data storage medium, comprising a data storage material encoded with a set of NMR derived coordinates which define the three-dimensional structure of the E6bp molecule as well as a machine-readable data storage medium, comprising a data storage material encoded with machine readable data which, when used with a machine programmed with instructions for using the data, is capable of displaying a graphical three-dimensional representation of the E6bp molecule. The invention further provides a method of treating a subject at risk for infection by a HPV. A compound having a three-dimensional structure substantially similar to the three-dimensional structure of E6bp and a composition comprising the candidate compound and a carrier macromolecule are also provided. Finally a method of evaluating the ability of a compound to associate with an E6bp molecule is provided.