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

[ Vol. 4 , Issue. 12 ]

Author(s):

Thomas S. Rush III and Robert Powers   Pages 1311 - 1327 ( 17 )

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.

Keywords:

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

Affiliation:

Structural Biology&Computational Chemistry, Department of Chemical&Screening Sciences,Wyeth Research, 87 Cambridge Park Dr. Cambridge, MA, 02140, USA



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