The impact of radicals in cold atmospheric plasma on the structural modification of gap junction: a reactive molecular dynamics study

Abstract

Cold atmospheric plasmas are currently gaining increasing attention for cancer therapy. However, very limited studies regarding the interaction mechanisms between plasma species and tissues are available. We report the interaction of plasma produced species ($${^{\ast}\rm{OH}}$$ and $${\rm{HO}}_2^{\ast}$$) with gap junction by employing reactive molecular dynamics simulations. Our results indicate $${^{\ast}\rm{OH}}$$ and $${\rm{HO}}_2^{\ast}$$ radicals can chemically react with N-terminal of gap junction resulting in its structural damage. There are two breaking mechanisms being identified: C-N peptide bonds and C-C bonds can be damaged by $${^{\ast}\rm{OH}}$$ and $${\rm{HO}}_2^{\ast}$$ radicals, respectively. Our findings could be particularly important for understanding the plasma-generated reactive species triggering bystander effect based on gap junction intercellular communication.

Keywords

• Cold atmospheric plasma
• reactive species
• molecular dynamics
• bystander effect
• gap junction