Dissipative Particle Dynamic Simulation on the Assembly and Release of siRNA/Polymer/Gold Nanoparticles Based Polyplex
Dissipative Particle Dynamic Simulation on the Assembly and Release of siRNA/Polymer/Gold Nanoparticles Based Polyplex
复制标题
基于 siRNA/聚合物/金纳米粒子的 Polyplex 组装和释放的耗散粒子动力学模拟
DOI：
10.1002/aic.15961
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发表时间：
2018
期刊：
影响因子：
3.7
通讯作者：
Wang Shengnian
中科院分区：
文献类型：
--
作者：
Xie Xiaona;Xu Shouping;Pi Pihui;Cheng Jiang;Wen Xiufang;Liu Xuan;Wang Shengnian
耗散粒子动力学模拟用于揭示小干扰RNA（siRNA）在pH敏感聚合物/金纳米颗粒（AuNPs）复合物中的加载/释放。这些复合物在不同的Au/siRNA质量比，原始AuNPs的大小，聚合物类型，和pH值的构象动力学进行了模拟，并与实验结果进行了比较。在中性条件下（pH = 7.4），siRNA/聚乙烯亚胺/顺乌头酸酐官能化的聚（烯丙基胺）/聚乙烯亚胺/11-巯基十一烷酸-金纳米颗粒（siRNA/PEI/PAH-Cit/PEI/MUA-AuNP）聚合物形成具有多层结构的球形胶束。大的多聚物以高的Au/siRNA质量比和/或小的原始AuNP尺寸获得。还在细胞内环境（pH = 5.0）中模拟了siRNA从AuNPs-多聚复合物系统的释放动力学。遵循溶胀-去胶束化-释放机制，同时发现siRNA的释放对于涉及电荷逆转PAH-Cit的多聚物快得多。这些发现与实验结果定性一致，并可能为以后设计和优化siRNA或其他分子探针的递送载体提供有价值的指导。© 2017美国化学工程师学会AIChE J，64：810-821，2018
Dissipative particle dynamics simulation is used to reveal the loading/release of small interfering RNA (siRNA) in pH‐sensitive polymers/gold nanoparticles (AuNPs) polyplex. The conformation dynamics of these polyplex at various Au/siRNA mass ratios, the original AuNPs sizes, polymer types, and pH values are simulated and compared to experimental results. At neutral conditions (pH = 7.4), spherical micelles with a multilayer structure are formed in siRNA/polyethyleneimine/cis‐aconitic anhydride functionalized poly(allylamine)/polyethyleneimine/11‐mercaptoundecanoic acid‐gold nanoparticle (siRNA/PEI/PAH‐Cit/PEI/MUA‐AuNP) polyplex. Large polyplex are obtained with high Au/siRNA mass ratio and/or small original AuNPs size. The release dynamics of siRNA from AuNPs‐polyplex systems were also simulated in the intracellular environment (pH = 5.0). A swelling‐demicellization‐releasing mechanism is followed while the release of siRNA is found much faster for polyplex involving charge‐reversal PAH‐Cit. These findings are qualitatively consistent with the experimental results and may provide valuable guidance in later design and optimization of delivery carriers for siRNA or other molecule probes. © 2017 American Institute of Chemical EngineersAIChE J, 64: 810–821, 2018