Molecular dynamics simulations of ternary lipid bilayers containing plant sterol and glucosylceramide

被引:11
|
作者
Emami, Shiva [1 ,2 ]
Azadmard-Damirchi, Sodeif [2 ]
Peighambardoust, Seyed Hadi [2 ]
Hesari, Javad [2 ]
Valizadeh, Hadi [3 ]
Faller, Roland [1 ]
机构
[1] Univ Calif Davis, Dept Chem Engn, Davis, CA 95616 USA
[2] Univ Tabriz, Dept Food Sci, Coll Agr, Tabriz 5166616471, Iran
[3] Tabriz Univ Med Sci, Dept Pharmaceut, Fac Pharm, Tabriz, Iran
关键词
Lipid bilayer; Sitosterol; Sphingolipid; Glucosylceramide; Molecular dynamics; PLASMA-MEMBRANES; PHOSPHOLIPID-BILAYERS; BIOLOGICAL-MEMBRANES; OAT ROOT; CHOLESTEROL; PHOSPHATIDYLCHOLINE; PHYTOSTEROLS; DOMAINS; MODEL; PHASE;
D O I
10.1016/j.chemphyslip.2017.01.003
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
An atomic-level molecular dynamics simulation was carried out to study the effects of a plant sterol (sitosterol) and glucosylceramide (GlcCer) on a 1,2-dilinoleoylposphocholine (DLiPC) membrane. Initially, a membrane containing 50 mol% sitosterol was compared with that containing the same ratio of cholesterol. These simulations showed differential condensing and ordering effects of sitosterol and cholesterol, with cholesterol being slightly more efficient than sitosterol in packing the membrane more tightly to a liquid ordered phase. By incorporation of 9.3% GlcCer on DLiPC/sterol membrane no notable change was observed in terms of area per lipid, bilayer thickness, order parameter and lateral diffusion. Some clusters of GlcCer/sterol were observed at higher ratio of GlcCer (15.5%), supporting the existence of GlcCer/sitosterol-enriched L-o-domains on the nanometer scale in the plant lipid mixture. (C) 2017 Elsevier B.V. All rights reserved.
引用
收藏
页码:24 / 32
页数:9
相关论文
共 50 条
  • [21] Molecular Dynamics Simulations of Anionic Lipid Bilayers in Presence of Calcium Ions
    Zhao, Wei
    Corradi, Valentina
    Tieleman, Peter
    BIOPHYSICAL JOURNAL, 2011, 100 (03) : 147 - 147
  • [22] MOLECULAR-DYNAMICS AND MONTE-CARLO SIMULATIONS OF LIPID BILAYERS
    PASTOR, RW
    CURRENT OPINION IN STRUCTURAL BIOLOGY, 1994, 4 (04) : 486 - 492
  • [23] Naratriptan aggregation in lipid bilayers: perspectives from molecular dynamics simulations
    Irene Wood
    Mónica Pickholz
    Journal of Molecular Modeling, 2016, 22
  • [24] PARALLEL MOLECULAR-DYNAMICS SIMULATIONS - METHODOLOGY AND APPLICATIONS TO LIPID BILAYERS
    VINCENT, JJ
    DAMODARAN, KV
    MERZ, KM
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 208 : 38 - COMP
  • [25] Refining the structure of lipid bilayers with insight from molecular dynamics simulations
    Klauda, JB
    Pastor, RW
    Kucerka, N
    Brooks, BR
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 230 : U1391 - U1391
  • [26] Constant surface tension molecular dynamics simulations of lipid bilayers with trehalose
    Venable, R. M.
    Skibinsky, A.
    Pastor, R. W.
    MOLECULAR SIMULATION, 2006, 32 (10-11) : 849 - 855
  • [27] Ultra coarse-grained molecular dynamics simulations of lipid bilayers
    Carrillo, Jan Michael
    Katsaras, John
    Sumpter, Bobby
    Ashkar, Rana
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255
  • [28] Experimental validation of molecular dynamics simulations of lipid bilayers:: A new approach
    Benz, RW
    Castro-Román, F
    Tobias, DJ
    White, SH
    BIOPHYSICAL JOURNAL, 2005, 88 (02) : 805 - 817
  • [29] Solvent-free molecular dynamics simulations of supported lipid bilayers
    Hoopes, Matthew I.
    Longo, Marjorie M.
    Faller, Roland
    BIOPHYSICAL JOURNAL, 2007, : 547A - 547A
  • [30] Molecular Dynamics Simulations of Lipid-Linked Oligosaccharide in Membrane Bilayers
    Kern, Nathan
    Wu, Emilia L.
    Jo, Sunhwan
    Vanommeslaeghe, Kenno
    Im, Wonpil
    BIOPHYSICAL JOURNAL, 2013, 104 (02) : 83A - 83A