The application of X-ray, NMR, and molecular modeling in the design of MMP inhibitors

Thomas S. Rush; Robert Powers

doi:10.2174/1568026043387999

The application of X-ray, NMR, and molecular modeling in the design of MMP inhibitors

Thomas S. Rush, Robert Powers

Research output: Contribution to journal › Review article › peer-review

45 Scopus citations

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.

Original language	English (US)
Pages (from-to)	1311-1327
Number of pages	17
Journal	Current Topics in Medicinal Chemistry
Volume	4
Issue number	12
DOIs	https://doi.org/10.2174/1568026043387999
State	Published - 2004

Keywords

Inhibitor
MMP
Matrix metalloprotease
Matrix metalloproteinase
Molecular modeling
NMR
Structure-based drug design
X-ray

ASJC Scopus subject areas

Drug Discovery

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10.2174/1568026043387999

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AB - 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.

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KW - Molecular modeling

KW - NMR

KW - Structure-based drug design

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The application of X-ray, NMR, and molecular modeling in the design of MMP inhibitors

Abstract

Keywords

ASJC Scopus subject areas

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