Metallopeptide design: Combining computing and experiments for rationalization

Authors

  • Laura Martínez-Castro
  • Soraya Learte-Aymamí
  • Miriam Condeminas
  • Pau Martin-Malparida
  • Carmen González-González
  • Sandra Baúlde
  • José R. Couceiro
  • Maria J. Macias
  • José L. Mascareñas
  • M. Eugenio Vázquez
  • Jean-Didier Maréchal

  • DOI: 10.2436/20.2003.01.152

Keywords:

Metallopeptide, rational design, computational chemistry, solid-phase peptide synthesis (SPPS).

Abstract

Metallopeptides are short amino acid sequences with a metallic center, combining the catalytic capacity of the ion with the selectivity and biological compatibility of the biomolecule. Although they have been applied in such fields as biomedicine, their use still poses some challenges, e.g. achieving their rational design or the improvement of their stability in the cellular medium. This article presents an integrative computational protocol combined with synthesis and experimental characterization to design a catalytic system joining the versatility of the Pd(II) metal ion with the stability of the WW domain as biological scaffold.

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Issue

No. 23 (2024)

Section

Articles

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