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I am a postdoctoral fellow performing molecular dynamics simulations of biological systems. Specifically, I am simulating the effect of lipid and protein oxidation on cancer cells, in order to improve cancer treatments based on cold atmospheric plasma.

Molecular simulations of the interactions between reactive species and gap junctions for plasma-based cancer therapy. 01/10/2023 - 30/09/2024

Abstract

Cancer treatment based on cold atmospheric plasma (CAP) has been gaining increasing interest over the years. CAP generates a rich mixture of reactive oxygen and nitrogen species (RONS), which are able to interact with the surface of cancer cells. They induce oxidative damage to membrane lipids and proteins, leading to cell death. One set of proteins affected by RONS are the gap junctions (GJs) proteins. GJs are intercellular spaces formed by opposing hemichannels, consisting of two protein hexamers composed of connexins. GJs allow cell-to-cell communication and play an important role in transport of molecules between cells, including RONS, as well as for cell growth, mobility and differentiation. This allows GJs to act as tumor suppressors but also as promoters. Additionally, they play a key role in propagating oxidative stress-induced cell death to neighboring cells. Therefore, understanding the role of GJs in cancer and their mechanisms of action is critical for developing effective therapies, such as CAP. However, it is still unclear how RONS affects the anti- and pro-tumorigenic properties of GJs: How can RONS be transported through GJs? Do lipid and GJ oxidation affect the function of GJs? Therefore, I aim to unravel the effects of GJ-RONS interactions using molecular dynamics simulations, supported by experimental validation. I expect that modulation of the function of GJs can improve the efficacy of plasma treatment-based anti-cancer strategies, such as CAP.

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  • Research Project