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

Byeong Cheol Jo; Hyun Jung Yoon; Myoung-Ryul Ok; Sangwook Wu

doi:10.1116/1.4977076

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

Biointerphases. 2017 Feb 28;12(1):01A403. doi: 10.1116/1.4977076.

Authors

Byeong Cheol Jo¹, Hyun Jung Yoon¹, Myoung-Ryul Ok², Sangwook Wu¹

Affiliations

¹ Department of Physics, Pukyong National University, Busan 608-737, South Korea.
² Center for Biomaterials, Korea Institute of Science and Technology, Seoul 02792, South Korea.

PMID: 28245651
DOI: 10.1116/1.4977076

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-2-oleoyl-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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Factor VII / metabolism*
Graphite / toxicity*
Lipid Bilayers / metabolism*
Molecular Dynamics Simulation
Nanostructures / toxicity*
Protein Binding
Thromboplastin / metabolism*

Substances

Lipid Bilayers
Graphite
Factor VII
Thromboplastin