Search results for "cysteine arylation"

showing 2 items of 2 documents

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

2020

To gain more insight into the factors controlling the efficient cysteine arylation by cyclometalated Au(III) 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 deducted 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.

010405 organic chemistryChemistryElectrospray ionizationOrganic Chemistrycyclometallated gold complexes010402 general chemistryMass spectrometry01 natural sciencesBiochemistryCombinatorial chemistryMolecular mechanicsReductive elimination0104 chemical sciencesddc:cysteine arylationGold CompoundschemoselectivitySettore CHIM/03 - Chimica Generale E InorganicapeptidesMolecular MedicineDensity functional theoryChemoselectivityMolecular BiologyCysteinemass spectrometry
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Cyclometalated Au(III) Complexes for Cysteine Arylation in Zinc Finger Protein Domains: Towards Controlled Reductive Elimination

2019

With the aim of exploiting the use of organometallic species for the efficient modification of proteins through C-atom transfer, the gold-mediated cysteine arylation through a reductive elimination process occurring from the reaction of cyclometalated AuIII C^N complexes with a zinc finger peptide (Cys2His2 type) is here reported. Among the four selected AuIII cyclometalated compounds, the [Au(CCON)Cl2] complex featuring the 2-benzoylpyridine (CCON) scaffold was identified as the most prone to reductive elimination and Cys arylation in buffered aqueous solution (pH 7.4) at 37 °C by high-resolution LC electrospray ionization mass spectrometry. DFT and quantum mechanics/molecular mechanics (Q…

Models Molecularzinc finger proteinProtein DomainPeptidecatalysi010402 general chemistry01 natural sciencesCatalysisReductive eliminationCatalysisThermodynamicOrganogold Compounds[CHIM]Chemical SciencesReactivity (chemistry)CysteineZinc fingerchemistry.chemical_classificationAqueous solutionCoordination Complexe010405 organic chemistryOrganic Chemistryreductive eliminationZinc FingersGeneral ChemistryCombinatorial chemistry0104 chemical sciencescysteine arylationchemistrySettore CHIM/03 - Chimica Generale E Inorganicagold complexeQuantum TheoryGoldCysteine
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