Poly(amidoamine) dendrimers on lipid bilayers II: Effects of bilayer phase and dendrimer termination.
Poly(amidoamine) dendrimers on lipid bilayers II: Effects of bilayer phase and dendrimer termination.
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DOI：
10.1021/jp8013783
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发表时间：
2008-08-07
期刊：
影响因子：
--
通讯作者：
Andricioaei I
中科院分区：
文献类型：
--
作者：
Kelly CV;Leroueil PR;Orr BG;Banaszak Holl MM;Andricioaei I
采用原子分子动力学方法研究了聚酰胺-胺（PAMAM）树状大分子与1，2-二肉豆蔻酰-sn-甘油-3-磷酸胆碱（DMPC）双层膜结合过程中的分子结构和焓释放.三个PAMAM树枝状聚合物终止进行了检查：质子化的伯胺，中性乙酰胺，和去质子化的羧酸。检查流体和凝胶脂质相以提取脂质尾部流动性对第3代树枝状聚合物结合的影响，所述第3代树枝状聚合物与涉及脂筏、内吞作用、脂质去除和/或膜孔的纳米颗粒相互作用直接相关。在与凝胶相脂质结合时，树枝状聚合物保持球形，具有恒定的回转半径，并且大约四分之一的端基与脂质紧密接近。与此相反，结合到流体相双层，树枝状聚合物变平，其非球面性和回转半径的大幅度增加。尽管在流体相脂质上形成的树枝状聚合物-脂质接触是凝胶相脂质的两倍以上，但树枝状聚合物-脂质相互作用能仅强20%。结合时的最大焓释放是在带电的树枝状聚合物和脂质双层之间。然而，与凝胶相脂质相比，与流体的更强结合是由内部树枝状聚合物和脂质尾部之间的疏水相互作用驱动的。
The molecular structures and enthalpy release during binding of poly(amidoamine) (PAMAM) dendrimers to 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) bilayers were explored through atomistic molecular dynamics. Three PAMAM dendrimer terminations were examined: protonated primary amine, neutral acetamide, and deprotonated carboxylic acid. Fluid and gel lipid phases were examined to extract the effects of lipid tail mobility on the binding of generation-3 dendrimers, which are directly relevant to the nanoparticle interactions involving lipid rafts, endocytosis, lipid removal, and/or membrane pores. Upon binding to gel phase lipids, dendrimers remained spherical, had a constant radius of gyration, and approximately one-quarter of the terminal groups were in close proximity to the lipids. In contrast, upon binding to fluid phase bilayers, dendrimers flattened out with a large increase in their asphericity and radii of gyration. Although over twice as many dendrimer–lipid contacts were formed on fluid versus gel phase lipids, the dendrimer–lipid interaction energy was only 20% stronger. The greatest enthalpy release upon binding was between the charged dendrimers and the lipid bilayer. However, the stronger binding to fluid versus gel phase lipids was driven by the hydrophobic interactions between the inner dendrimer and lipid tails.
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影响因子：
7.3
作者：
Majoros, IJ;Thomas, TP;Baker, JR
通讯作者：
Baker, JR
影响因子：
3.8
作者：
Hünenberger, PH;McCammon, JA
通讯作者：
McCammon, JA
影响因子：
14.9
作者：
Manunta, M;Tan, PH;George, AJT
通讯作者：
George, AJT
DOI：
10.1021/jp801377a
发表时间：
2008-08-07
期刊：
The journal of physical chemistry. B
影响因子：
--
作者：
Kelly CV;Leroueil PR;Nett EK;Wereszczynski JM;Baker JR Jr;Orr BG;Banaszak Holl MM;Andricioaei I
通讯作者：
Andricioaei I
影响因子：
3
作者：
BROOKS, BR;BRUCCOLERI, RE;KARPLUS, M
通讯作者：
KARPLUS, M