Title: The Application of X-ray, NMR, and Molecular Modeling in the Design of MMP Inhibitors
Volume: 4
Issue: 12
Author(s): Thomas S. Rush III and Robert Powers
Affiliation:
Keywords:
structure-based drug design, matrix metalloproteinase, matrix metalloprotease, x-ray, nmr, molecular modeling, inhibitor, mmp
Abstract: The following review discusses the successful application of X-ray, NMR, and molecular modeling in the design of potent and selective inhibitors of matrix metalloproteinases (MMPs) and TNFα-converting enzyme (TACE) from Wyeth. The importance of protein and ligand mobility as it impacts structure-based design is also discussed. The MMPs are an active target for a variety of diseases, including cancer and arthritis.