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In search of selective inhibitors of cysteine protease, cathepsin K

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Author

Summary, in English

Two potential azapeptide inhibitors of cathepsin K were designed and synthesized. To analyze in detail interactions between these azainhibitors and the investigated cysteine protease, molecular dynamics simulations were performed. For the obtained compounds the equilibrium constants for dissociation of inhibitor-enzyme complex, K-i, were determined. The examined azapeptides proved to be not as potent inhibitors of cathepsin K as they were expected to be according to the results of simulations. However, these calculations provide valuable information about probable structures of this type of peptidomimetics in the catalytic pocket of cathepsin K, which could be useful in designing of more selective inhibitors of this cysteine protease.

Publishing year

2005

Language

English

Pages

203-209

Publication/Series

International Journal of Peptide Research and Therapeutics

Volume

11

Issue

3

Document type

Journal article

Publisher

Springer

Topic

  • Medicinal Chemistry
  • Pharmacology and Toxicology

Keywords

  • cysteine protease
  • azapeptide
  • cathepsin K
  • inhibitor
  • dynamics
  • molecular

Status

Published

ISBN/ISSN/Other

  • ISSN: 1573-3904