Terrón-Mejía Ketzasmin A, Martínez-Benavidez Evelin, Higuera-Ciapara Inocencio, Virués Claudia, Hernández Javier, Domínguez Zaira, Argüelles-Monal Waldo, Goycoolea Francisco M, López-Rendón Roberto, Gama Goicochea Armando
Centro de Investigación y Asistencia en Tecnología y Diseño del Estado de Jalisco, A.C., Av. Normalistas 800, Colinas de la Normal, Guadalajara 44270, Mexico.
Instituto Tecnológico Superior de Zongolica, Km. 4 Carretera a la Compañía, Zongolica, Veracruz 95005, Mexico.
Nanomaterials (Basel). 2018 Jun 12;8(6):425. doi: 10.3390/nano8060425.
The transport of hydrophobic drugs in the human body exhibits complications due to the low solubility of these compounds. With the purpose of enhancing the bioavailability and biodistribution of such drugs, recent studies have reported the use of amphiphilic molecules, such as phospholipids, for the synthesis of nanoparticles or nanocapsules. Given that phospholipids can self-assemble in liposomes or micellar structures, they are ideal candidates to function as vehicles of hydrophobic molecules. In this work, we report mesoscopic simulations of nanoliposomes, constituted by lecithin and coated with a shell of chitosan. The stability of such structures and the efficiency of the encapsulation of capsaicin, as well as the internal and superficial distribution of capsaicin and chitosan inside the nanoliposome, were analyzed. The characterization of the system was carried out through density maps and the potentials of mean force for the lecithin-capsaicin, lecithin-chitosan, and capsaicin-chitosan interactions. The results of these simulations show that chitosan is deposited on the surface of the nanoliposome, as has been reported in some experimental works. It was also observed that a nanoliposome of approximately 18 nm in diameter is stable during the simulation. The deposition behavior was found to be influenced by a pattern of N-acetylation of chitosan.
疏水性药物在人体内的运输存在并发症，因为这些化合物的溶解度很低。为了提高此类药物的生物利用度和生物分布，最近的研究报道了使用两亲性分子（如磷脂）来合成纳米颗粒或纳米胶囊。鉴于磷脂可以在脂质体或胶束结构中自组装，它们是作为疏水性分子载体的理想候选者。在这项工作中，我们报告了由卵磷脂构成并包覆壳聚糖壳的纳米脂质体的介观模拟。分析了此类结构的稳定性、辣椒素的包封效率，以及辣椒素和壳聚糖在纳米脂质体内部和表面的分布。通过密度图以及卵磷脂 - 辣椒素、卵磷脂 - 壳聚糖和辣椒素 - 壳聚糖相互作用的平均力势对系统进行了表征。这些模拟结果表明，壳聚糖沉积在纳米脂质体表面，正如一些实验工作所报道的那样。还观察到，在模拟过程中，直径约为18 nm的纳米脂质体是稳定的。发现沉积行为受壳聚糖的N - 乙酰化模式影响。
