期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 117, 期 1, 页码 230-241出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp310255r
关键词
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资金
- Natural Sciences and Engineering Research Council of Canada (NSERC)
- Ontario Early Researcher Award Program
- Thailand Research Fund (TRF)
- Kasetsart University Research and Development Institute (KURDI)
- Faculty of Science at Kasetsart University
Translocation of peptides through cellular membranes is a fundamental problem in developing antimicrobial peptides and in drug delivery. There is a class of peptides, known as cell-penetrating peptides, that are able to penetrate membranes without disrupting them. They can carry pharmacological compounds, thus a promising strategy for drug delivery. The physical mechanisms that facilitate translocation are not known. We have used large-scale molecular dynamics simulations to study the penetration of transportan across a zwitterionic dipalmitoyl-phosphatidyl-choline (DPPC) bilayer. We obtained the free energy profile for one peptide inside the bilayer and discuss the response of the bilayer to the presence of transportan. We also discuss the importance of lysine residues and speculate on the possible penetration mechanism of the peptide and propose a graded-like penetration process.
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