Naslov
Effects of carbonylation on the stability of proteins

Autori
Petrov, Dražen ; Hlevnjak, Mario ; Zagrovic, Bojan

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
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, 2009, 72-72

ISBN
978-953-6690-80-0

Skup
The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences

Mjesto i datum
Primošten, Hrvatska, 01.09.2009. - 05.09.2009

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
carbonylation; reactive oxigen species; protein stability; thermodynamic integration; ageing

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Biologija

POVEZANOST RADA