Molecular dynamics simulation of cytotoxicity of graphene nanosheets to blood-coagulation protein

Abstract

Graphene is a nanomaterial that is widely used in electronics, biomedicine, and drug-delivery systems. Although it has many industrial applications, the cytotoxicity of graphene has not been sufficiently studied. In this study, the authors used molecular dynamics simulation to investigate how a graphene nanosheet affects a blood-coagulation protein, namely, a tissue factor/FVIIa binary complex bound to a lipid bilayer membrane, in a 4: 1 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine/1-palmitoyl-2oleoyl-sn-glycero-3-phospho-l-serine lipid bilayer mixture. Based on the results, the authors suggest a mechanism for the cytotoxicity of graphene nanosheets to blood-coagulation protein at the molecular level. (C) 2017 American Vacuum Society.