The physical and chemical properties of phospholipid bilayers are critical for understanding biological membranes and structure-function relations. Here, we have investigated how cytochrome c interacts with a DOPC bilayer and a gold nanoparticle (AuNP) surface. Computational techniques provided valuable information on bilayer interactions and orientational specificity of cytochrome c and demonstrated the effect of a AuNP surface on a system with a pure phospholipid bilayer and cytochrome c, under biological conditions. When we introduced the AuNP surface into the system, interactions with the bilayer and protein were shown as the system was computationally simulated at constant temperature and pressure. In addition to the occurring interactions, we observed structural changes in the bilayer and orientational preferences on cytochrome c. Both the bilayer and the AuNP surface contribute to the characterization of the behavior of cytochrome c in a biological environment.

Modeling and interactions of a DOPC bilayer and cytochrome c on a AuNP surface

ACS Spring 2022

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