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Current Topics in Medicinal Chemistry


ISSN (Print): 1568-0266
ISSN (Online): 1873-4294

The Application of X-ray, NMR, and Molecular Modeling in the Design of MMP Inhibitors

Author(s): Thomas S. Rush III and Robert Powers

Volume 4, Issue 12, 2004

Page: [1311 - 1327] Pages: 17

DOI: 10.2174/1568026043387999

Price: $65


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.

Keywords: structure-based drug design, matrix metalloproteinase, matrix metalloprotease, x-ray, nmr, molecular modeling, inhibitor, mmp

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