Sierra M B, Alarcón L, Gerbino D, Pedroni V I, Buffo F E, Morini M A
Laboratorio de Fisicoquímica, INQUISUR, Departamento de Química, Universidad Nacional del Sur (UNS)-CONICET, Av. Alem 1253, 8000 Bahía Blanca, Argentina.
Laboratorio de Química Orgánica, INQUISUR, Departamento de Química, Universidad Nacional del Sur (UNS)-CONICET, Av. Alem 1253, 8000 Bahía Blanca, Argentina.
Chem Phys Lipids. 2017 Aug;206:1-8. doi: 10.1016/j.chemphyslip.2017.05.004. Epub 2017 May 19.
Xanthones and derivatives are natural active compounds whose interest has been increased due to its several pharmacological effects. In this work, effects of hydroxy-xanthones on the physicochemical properties of dipalmitoylphosphatidylcholine (DPPC) liposomes have been investigated in terms of lipid bilayer fluidity, by means of molecular dynamics simulations and temperature dependence of zeta potential studies. Experimental results predict, in good agreement with simulations, that xanthones are able to be incorporated into DPPC liposomes with certain localization, fluidizing the bilayer. Both effects, localization and fluidity were found to be dependent of the number of hydroxilic substituents of the xanthone and the lipid phase state.
呫吨酮及其衍生物是天然活性化合物,因其多种药理作用而备受关注。在本研究中,通过分子动力学模拟和ζ电位研究的温度依赖性,从脂质双层流动性方面研究了羟基呫吨酮对二棕榈酰磷脂酰胆碱(DPPC)脂质体物理化学性质的影响。实验结果与模拟结果高度吻合,预测呫吨酮能够以特定的定位方式掺入DPPC脂质体中,使双层膜流化。发现定位和流动性这两种效应均取决于呫吨酮的亲水性取代基数量和脂质相状态。