机构:Univ Penn, Dept Chem, Ctr Mol Modeling, Philadelphia, PA 19104 USA
Bandyopadhyay, S
Tarek, M
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机构:Univ Penn, Dept Chem, Ctr Mol Modeling, Philadelphia, PA 19104 USA
Tarek, M
Klein, ML
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机构:
Univ Penn, Dept Chem, Ctr Mol Modeling, Philadelphia, PA 19104 USAUniv Penn, Dept Chem, Ctr Mol Modeling, Philadelphia, PA 19104 USA
Klein, ML
[1
]
机构:
[1] Univ Penn, Dept Chem, Ctr Mol Modeling, Philadelphia, PA 19104 USA
[2] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA
来源:
JOURNAL OF PHYSICAL CHEMISTRY B
|
1999年
/
103卷
/
46期
关键词:
D O I:
10.1021/jp9927496
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
Lipid-DNA complexes are of topical interest because of their potential for use as vectors in gene therapy. Herein, molecular dynamics simulations have been carried out to probe the nature of Lipid-DNA interactions and thereby provide a complement to recent experimental and theoretical studies. Specifically, we have investigated the DNA duplex d(CCAACGTTGG)(2), in its canonical B-form, intercalated into a lipid bilayer consisting of a neutralizing binary mixture of cationic (dimyristoyltrimethylammonium propane-DMTAP) and zwitterionic (dimyristoylphosphatidylcholine-DMPC) lipids. Surprisingly, both lipids are involved in neutralizing the anionic DNA phosphate groups. The electrostatic interactions between the cationic trimethylammonium (TAP) and zwitterionic phosphocholine (PC) headgroups of the two lipids allow the PC headgroups to orient out of the bilayer plane and thereby also become available to screen the negative charges on the DNA.
机构:Hebrew Univ Jerusalem, Fritz Haber Res Ctr, Dept Chem Phys, IL-91904 Jerusalem, Israel
Harries, D
May, S
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机构:Hebrew Univ Jerusalem, Fritz Haber Res Ctr, Dept Chem Phys, IL-91904 Jerusalem, Israel
May, S
Gelbart, WM
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机构:Hebrew Univ Jerusalem, Fritz Haber Res Ctr, Dept Chem Phys, IL-91904 Jerusalem, Israel
Gelbart, WM
Ben-Shaul, A
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机构:
Hebrew Univ Jerusalem, Fritz Haber Res Ctr, Dept Chem Phys, IL-91904 Jerusalem, IsraelHebrew Univ Jerusalem, Fritz Haber Res Ctr, Dept Chem Phys, IL-91904 Jerusalem, Israel
机构:Hebrew Univ Jerusalem, Fritz Haber Res Ctr, Dept Chem Phys, IL-91904 Jerusalem, Israel
Harries, D
May, S
论文数: 0引用数: 0
h-index: 0
机构:Hebrew Univ Jerusalem, Fritz Haber Res Ctr, Dept Chem Phys, IL-91904 Jerusalem, Israel
May, S
Gelbart, WM
论文数: 0引用数: 0
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机构:Hebrew Univ Jerusalem, Fritz Haber Res Ctr, Dept Chem Phys, IL-91904 Jerusalem, Israel
Gelbart, WM
Ben-Shaul, A
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h-index: 0
机构:
Hebrew Univ Jerusalem, Fritz Haber Res Ctr, Dept Chem Phys, IL-91904 Jerusalem, IsraelHebrew Univ Jerusalem, Fritz Haber Res Ctr, Dept Chem Phys, IL-91904 Jerusalem, Israel