Chemistry and Physics of Lipids ( IF 3.4 ) Pub Date : 2020-06-29 , DOI: 10.1016/j.chemphyslip.2020.104938 M A Morini 1 , V I Pedroni 1 , L M Alarcón 1 , A R Verde 1 , P Mendioroz 2 , G A Appignanesi 1 , M B Sierra 1
This work reports the effect of hydroxy-xanthones (XAs) on 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and 1,2-Dimyristoyl-sn-glycero-3-phosphocholine (DMPC) bilayers as determined by ultrasound velocimetry, densimetry and molecular dynamics simulations. XAs with different number of hydroxyl group were studied. Experimental results, in good agreement with molecular dynamics simulations, revealed that the presence of XAs in the systems studied increases fluidity while simultaneously decreses the compressibility of both membranes. This ´apparent contradiction´ ceases to exist when the particular geometrical structure of the xanthones is taken into account: the planar shape of their fused aromatic rings might allow them to pack efficiently among the hydrocarbon tails of the lipids, thus decreasing compressibility, while their presence weakens or disrupts methylene-methylene interchain interactions, thus increasing membrane fluidity and decreasing their melting temperature.
中文翻译:
羟基氧杂蒽与磷脂酰胆碱的相互作用:效应物降低了可压缩性并增加了膜的流动性。
这项工作报告了羟基黄嘌呤(XAs)对1,2-二棕榈酰基-sn-甘油-3-磷酸胆碱(DPPC)和1,2-二肉豆蔻酰基-sn-甘油-3-磷酸胆碱(DMPC)双层的影响超声波测速,密度和分子动力学模拟。研究了不同羟基数的XA。实验结果与分子动力学模拟非常吻合,表明在所研究的系统中XA的存在增加了流动性,同时降低了两种膜的可压缩性。当考虑到氧杂蒽的特殊几何结构时,这种“明显的矛盾”就不复存在:它们的稠合芳环的平面形状可能使它们在脂质的烃类尾巴之间有效堆积,从而降低了可压缩性,