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GIAMPAOLO BARONE

Exploring the Chemoselectivity towards Cysteine Arylation by Cyclometallated AuIII Compounds: New Mechanistic Insights

  • Autori: Thomas S.R.; Bonsignore R.; Sanchez Escudero J.; Meier-Menches S.M.; Brown C.M.; Wolf M.O.; Barone G.; Luk L.Y.P.; Casini A.
  • Anno di pubblicazione: 2020
  • Tipologia: Articolo in rivista
  • OA Link: http://hdl.handle.net/10447/457859

Abstract

To gain more insight into the factors controlling efficient cysteine arylation by cyclometallated AuIII complexes, the reaction between selected gold compounds and different peptides was investigated by high-resolution liquid chromatography electrospray ionization mass spectrometry (HR-LC-ESI-MS). The deduced mechanisms of C−S cross-coupling, also supported by density functional theory (DFT) and quantum mechanics/molecular mechanics (QM/MM) calculations, evidenced the key role of secondary peptidic gold binding sites in favouring the process of reductive elimination.