Theoretica chimica acta

, Volume 85, Issue 1–3, pp 87–99 | Cite as

Theoretical study of the structure of the glutathione-hydrogen peroxide complex

  • J. Bergès
  • J. Caillet
  • J. Langlet
  • Z. Abedinzadeh
Article
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Accepted:

Summary

Theoretical calculations have been performed in order to investigate the possibility of intermolecular hydrogen bonds between glutathione and hydrogen peroxide. Preliminary investigations of the conformations of GSH in water have been done in the framework of the SIBFA and CHARMm methods. We have proposed some privileged sites on the molecules of GSH for the formation of complexes with H2O and H2O2.

Key words

Glutathione Water Hydrogen peroxide Complexation 
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Copyright information

© Springer-Verlag 1993

Authors and Affiliations

  • J. Bergès
    • 1
  • J. Caillet
    • 1
  • J. Langlet
    • 1
  • Z. Abedinzadeh
    • 2
  1. 1.Dynamique des Interactions MoléculairesUniversité Pierre et Marie CurieParisFrance
  2. 2.Laboratoire de Chimie PhysiqueUniversité René DescartesParisFrance

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