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

Thomas S. Rush, Robert Powers

Research output: Contribution to journalReview article

44 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)1311-1327
Number of pages17
JournalCurrent Topics in Medicinal Chemistry
Volume4
Issue number12
DOIs
StatePublished - Sep 15 2004

Fingerprint

Molecular modeling
Matrix Metalloproteinase Inhibitors
Matrix Metalloproteinases
Arthritis
Nuclear magnetic resonance
X-Rays
Ligands
X rays
Neoplasms
Proteins
Enzymes
ADAM17 Protein

Keywords

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

ASJC Scopus subject areas

  • Medicine(all)

Cite this

The application of X-ray, NMR, and molecular modeling in the design of MMP inhibitors. / Rush, Thomas S.; Powers, Robert.

In: Current Topics in Medicinal Chemistry, Vol. 4, No. 12, 15.09.2004, p. 1311-1327.

Research output: Contribution to journalReview article

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