Effects of carbonylation on the stability of proteins (CROSBI ID 557403)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa
Podaci o odgovornosti
Petrov, Dražen ; Hlevnjak, Mario ; Zagrovic, Bojan
engleski
Effects of carbonylation on the stability of proteins
Proteins frequently become irreversibly modified by carbonylation, a process of introducing the carbonyl group in a reaction with reactive oxygen species (ROS) such as superoxide, peroxide or ozone. Carbonylation increases with the age of cell and is associated with ageing and age related disorders such as Alzheimer's disease, Parkinson's disease and cancer. We have used molecular dynamics approach to study the stability of carbonylated villin headpiece protein. Simulations were run after mutations of arginine, proline and lysine into aminoadipic semialdehyde (ASA)and glutamic semialdehyde (GSA)had been performed. In addition, we have used thermodynamic integration on lysine, arginine, proline, ASA and GSA residues in order to estimate their solvation free energy. Our results suggest that carbonylation markedly decreases the overall stability of proteins, and that one potential reason for that may be a disruption of the balance between hydrophilic and hydrophobic regions in the protein.
carbonylation; reactive oxigen species; protein stability; thermodynamic integration; ageing
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Podaci o prilogu
72-72.
2009.
objavljeno
Podaci o matičnoj publikaciji
The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences
Tomić, Sanja: Smith, David
Zagreb: Centre for Computational Solutions in the Life Sciences, Ruđer Bošković Institute
978-953-6690-80-0
Podaci o skupu
The 3^rd Adriatic Meeting on Computational Solutions in the Life Sciences
poster
01.09.2009-05.09.2009
Primošten, Hrvatska