Lipid-Modified Polyethylenimine-Mediated DNA Attraction Evaluated by Molecular Dynamics Simulations

被引：6

作者：

Bagai, Sampada ^{[1
]}

Sun, Chongbo ^{[1
]}

Tang, Tian ^{[1
]}

机构：

[1] Univ Alberta, Dept Mech Engn, Edmonton, AB T6G 2G8, Canada

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2014年 / 118卷 / 25期

基金：

加拿大创新基金会;

关键词：

GENE-THERAPY; SUBSTITUTION; THERMODYNAMICS; DELIVERY; BINDING; FORCE; POLY(L-LYSINE); ASSOCIATION; POLYMERS; ACID;

D O I：

10.1021/jp503381r

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：

The effect of lipid modification on polyethylenimine (PEO-mediated DNA attraction was studied by performing umbrella sampling molecular dynamics simulations that involved PEIs modified with three different types of lipids: oleic acid (OA), linoleic acid (LA), and caprylic acid (CA). The potential of mean force between two DNA molecules in the presence of these lipid-modified PEIs was calculated using the weighted histogram analysis method, and it predicted the stability and size of the DNA aggregate. When compared to native PEI, lipid modification was found to enhance the stability of DNA aggregation in the case of long lipids (LA and OA) but reduce the stability in the case of a short lipid (CA). In addition, LA-substituted PEI was shown to form stronger DNA aggregate than OA-substituted PEI, which correlates positively with previous experimental observations.

引用

页码：7070 / 7076

页数：7

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