Molecular basis of intramolecular electron transfer in proteins during radical-mediated oxidations: Computer simulation studies in model tyrosine-cysteine peptides in solution

Experimental studies in hemeproteins and model Tyr/Cys-containing peptides exposed to oxidizing and nitrating species suggest that intramolecular electron transfer (IET) between tyrosyl radicals (Tyr-O) and Cys residues controls oxidative modification yields. The molecular basis of this IET process...

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Detalles Bibliográficos
Autores principales: Petruk, A.A., Bartesaghi, S., Trujillo, M., Estrin, D.A., Murgida, D., Kalyanaraman, B., Marti, M.A., Radi, R.
Formato: JOUR
Materias:
Computer simulation
Electron transfer
Nitration
Oxidation
Tyrosyl radical
alanine
cysteine
hydrogen
phenol derivative
thiol derivative
tyrosine
water
acid base balance
amino acid sequence
article
chemical reaction kinetics
chemical structure
computer simulation
electron transport
hydrogen bond
molecular dynamics
oxidation
physical chemistry
priority journal
protein conformation
protein modification
protein structure
proton transport
quantum mechanics
solvation
thermodynamics
Computer Simulation
Cysteine
Electron Transport
Free Radicals
Kinetics
Molecular Dynamics Simulation
Peptides
Proteins
Quantum Theory
Solutions
Tyrosine
Water
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00039861_v525_n1_p82_Petruk
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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