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.
National Natural Science Foundation of China [51322604, 51176149, 11372243, 81301040, 11272327, 11422215]
; Major International Joint Research Program of China 
; International Science & Technology Cooperation Program of China [2013DFG02930]
[He, XiaoCong; Qu, ZhiGuo] Xi An Jiao Tong Univ, Sch Energy & Power Engn, Minist Educ, Key Lab Thermofluid Sci & Engn, Xian 710049, Peoples R China; [He, XiaoCong; Lin, Min; Sha, BaoYong; Feng, ShangSheng; Qu, ZhiGuo; Xu, Feng] Xi An Jiao Tong Univ, BEBC, Xian 710049, Peoples R China; [Lin, Min; Xu, Feng] Xi An Jiao Tong Univ, Sch Life Sci & Technol, Minist Educ, Key Lab Biomed Informat Engn, Xian 710049, Peoples R China; [Sha, BaoYong] Xian Med Univ, Inst Basic Med Sci, Xian 710021, Peoples R China; [Shi, XingHua] Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100864, Peoples R China