title: Coarse-grained molecular dynamics studies of the translocation mechanism of polyarginines across asymmetric membrane under tension.
abstract: Understanding interactions between cell-penetrating peptides and biomembrane under tension can help improve drug delivery and elucidate mechanisms underlying fundamental cellular events. As far as the effect of membrane tension on translocation, it is generally thought that tension should disorder the membrane structure and weaken its strength, thereby facilitating penetration. However, our coarse-grained molecular dynamics simulation results showed that membrane tension can restrain polyarginine translocation across the asymmetric membrane and that this effect increases with increasing membrane tension. We also analyzed the structural properties and lipid topology of the tensed membrane to explain the phenomena. Simulation results provide important molecular information on the potential translocation mechanism of peptides across the asymmetric membrane under tension as well as new insights in drug and gene delivery.
authors.affiliation: 1] Key Laboratory of Thermo-Fluid Science and Engineering of Ministry of Education, School of Energy and Power Engineering, Xi'an Jiaotong University, Xi'an 710049, P.R. China [2] Bioinspired Engineering and Biomechanics Center (BEBC), Xi'an Jiaotong University, Xi'an 710049, P.R. China.
authors.forename: XiaoCong
authors.initials: X
authors.lastname: He
authors.affiliation: 1] Bioinspired Engineering and Biomechanics Center (BEBC), Xi'an Jiaotong University, Xi'an 710049, P.R. China [2] The Key Laboratory of Biomedical Information Engineering of Ministry of Education, School of Life Science and Technology, Xi'an Jiaotong University, Xi'an 710049, P.R. China.
authors.forename: Min
authors.initials: M
authors.lastname: Lin
authors.affiliation: 1] Bioinspired Engineering and Biomechanics Center (BEBC), Xi'an Jiaotong University, Xi'an 710049, P.R. China [2] Institute of Basic Medical Science, Xi'an Medical University, Xi'an 710021, P.R. China.
authors.forename: BaoYong
authors.initials: B
authors.lastname: Sha
authors.affiliation: Bioinspired Engineering and Biomechanics Center (BEBC), Xi'an Jiaotong University, Xi'an 710049, P.R. China.
authors.forename: ShangSheng
authors.initials: S
authors.lastname: Feng
authors.affiliation: The State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences.
authors.forename: XingHua
authors.initials: X
authors.lastname: Shi
authors.affiliation: 1] Key Laboratory of Thermo-Fluid Science and Engineering of Ministry of Education, School of Energy and Power Engineering, Xi'an Jiaotong University, Xi'an 710049, P.R. China [2] Bioinspired Engineering and Biomechanics Center (BEBC), Xi'an Jiaotong University, Xi'an 710049, P.R. China.
authors.forename: ZhiGuo
authors.initials: Z
authors.lastname: Qu
authors.affiliation: 1] Bioinspired Engineering and Biomechanics Center (BEBC), Xi'an Jiaotong University, Xi'an 710049, P.R. China [2] The Key Laboratory of Biomedical Information Engineering of Ministry of Education, School of Life Science and Technology, Xi'an Jiaotong University, Xi'an 710049, P.R. China.
authors.forename: Feng
authors.initials: F
authors.lastname: Xu
mesh_terms: D002462:Cell Membrane / Q000737:chemistry* / Q000378:metabolism; D057846:Cell-Penetrating Peptides / Q000737:chemistry / Q000378:metabolism*; D008051:Lipid Bilayers / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D010455:Peptides / Q000737:chemistry* / Q000378:metabolism*; D010718:Phosphatidylserines / Q000737:chemistry; D021381:Protein Transport; D055672:Static Electricity
chemical_list: D057846:Cell-Penetrating Peptides; D008051:Lipid Bilayers; D010455:Peptides; D010718:Phosphatidylserines; C015462:polyarginine; C038694:dipalmitoylphosphatidylserine