亲脂性依达拉奉对抗氧化脂质体物理状态和活性的影响：一项实验和计算机模拟研究。

Influence of a lipophilic edaravone on physical state and activity of antioxidant liposomes: An experimental and in silico study.

作者信息

Minnelli Cristina, Laudadio Emiliano, Fiorini Rosamaria, Galeazzi Roberta, Armeni Tatiana, Stipa Pierluigi, Rusciano Dario, Mobbili Giovanna

机构信息

Dipartimento di Scienze della Vita e dell'Ambiente (DISVA), Università Politecnica delle Marche, via Brecce Bianche, 60131 Ancona, Italy.

Dipartimento di Scienze e Ingegneria della Materia, dell'Ambiente e Urbanistica (SIMAU), Università Politecnica delle Marche, via Brecce Bianche, 60131 Ancona, Italy.

出版信息

Colloids Surf B Biointerfaces. 2022 Feb;210:112217. doi: 10.1016/j.colsurfb.2021.112217. Epub 2021 Nov 18.

DOI:10.1016/j.colsurfb.2021.112217

PMID:34836703

Abstract

The influence of a lipophilic derivative of Edaravone (C18Edv) on a POPC liposomal bilayer has been investigated by a combined computational-experimental approach. The order and hydration degree of three different systems composed by 10%, 20% and 40% in w/w percentage of C18Edv respect to POPC were investigated through Molecular Dynamics (MD) simulations and fluorescence spectroscopy experiments. Dynamic Light Scattering measurements showed how the presence of different amounts of C18EdV determines differences on liposome size and stability. The survey revealed that the content of lipophilic antioxidant tunes liposome rigidity and influences cellular uptake and antioxidant activity which are maximized for formulation containing 20% of C18Edv.

摘要

采用计算与实验相结合的方法，研究了依达拉奉的亲脂性衍生物（C18Edv）对1-棕榈酰-2-油酰磷脂酰胆碱（POPC）脂质体双层膜的影响。通过分子动力学（MD）模拟和荧光光谱实验，研究了相对于POPC，C18Edv的重量百分比分别为10%、20%和40%的三种不同体系的有序度和水合程度。动态光散射测量结果表明，不同含量的C18EdV的存在如何决定脂质体大小和稳定性的差异。研究发现，亲脂性抗氧化剂的含量调节脂质体的刚性，并影响细胞摄取和抗氧化活性，对于含有20% C18Edv的制剂，这些活性达到最大值。