What is the outlook for structure-based drug design?
The number of potential drug targets with 3D structure known is increasing and exciting new applications for structure-based approaches have been demonstrated in chemical library design and in the virtual screening of libraries. 3D protein structures, which are being reported in increasing numbers, enhance the utility of homology approaches for structure prediction and the elucidation of protein function (a subject of the UCSF-MDI meeting on Protein Sequence Stucture Function). Together with initiatives underway to sequence the human genome and those of other organisms it is easy to foresee many new potential drug targets with 3D information known. Structure-based drug design has contributed to the discovery of drugs, including HIV protease inhibitors for AIDS. DOCK has proven useful at UCSF and in other academic and industrial laboratories in finding lead compounds in the search for new drugs against viruses, bacteria and parasites. Amprenavir (VX-478) bound to HIV protease (Kim et.al
