Structure-based design of new therapeutics

Led by Profs. Ted Baker, Bill Denny and John Fraser

Understanding the structure of protein targets provides a wealth of information that can be used to design and develop new chemotherapeutic agents. Once the structure of a potential drug target is determined, in silico computer methods are employed to model lead compounds into the protein's active site. Combined with this in silico approach, the Centre is able to combine advanced synthetic chemistry with protein engineering to develop a range of compounds based on the lead compound that are then tested in assays for activity. An example of this technology being applied directly is in the area of novel anti-TB compounds that are being modelled from knowledge gained from structures identified from Mycobacterium Tuberculosis (see Reseach Profile)