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Synthesizing Amino Acids Modified with Reactive Carbonyls in Silico to Assess Structural Effects Using Molecular Dynamics Simulations

Protein carbonylation by reactive aldehydes derived from lipid peroxidation leads to cross-linking, oligomerization, and aggregation of proteins, causing ...

University of Cartagena

Serum albumin is the most abundant protein in the Mammalia blood plasma at where plays a decisive role in the transport wide variety of hydrophobic ligands. BSA undergoes oxidative modifications like the carbonylation by the reactive carbonyl species (RCSs) 4-hydroxy-2-nonenal (HNE), 4 hydroxy-2-hexenal (HHE), malondialdehyde (MDA) and 4-oxo-2-nonenal (ONE), among others. The structural and functional changes induced by protein carbonylation have been associated with the advancement of neurodegenerative, cardiovascular, metabolic and cancer diseases.

Camila Cabarcas-Herrera

Analytical Chemistry and Biomedicine Group,
Pharmaceutical Sciences Faculty,
Analytical Chemistry and Biomedicine Group, Pharmaceutical Sciences Faculty

University of Cartagena

Synthesizing Amino Acids Modified with Reactive Carbonyls in Silico to Assess Structural Effects Using Molecular Dynamics Simulations

Camila Cabarcas-Herrera

.css-o250i3{font-size:18px;font-family:Open Sans,sans-serif;line-height:21.6px;}Analytical Chemistry and Biomedicine Group,Pharmaceutical Sciences Faculty,Analytical Chemistry and Biomedicine Group, Pharmaceutical Sciences Faculty

University of Cartagena

Synthesizing Amino Acids Modified with Reactive Carbonyls in Silico to Assess Structural Effects Using Molecular Dynamics Simulations

Analytical Chemistry and Biomedicine Group,
Pharmaceutical Sciences Faculty,
Analytical Chemistry and Biomedicine Group, Pharmaceutical Sciences Faculty