School of Chemistry and Chemical Engineering, Guangdong Provincial Key Lab for Green Chemical Product Technology , South China University of Technology , Guangzhou , Guangdong 510640 , People's Republic of China.
Langmuir. 2019 Feb 5;35(5):1944-1953. doi: 10.1021/acs.langmuir.8b00626. Epub 2018 May 8.
In this work, the self-assembled behaviors of zwitterionic copolymer docosahexaenoic acid- b-poly(γ-benzyl-l-glutamate)- b-poly(carboxybetaine methacrylate) (DHA-PBLG-PCB) and the loading and release mechanism of the anticancer drug doxorubicin (DOX) was investigated via computer simulations. The effects of polymer concentration, drug content, and pH on polymeric micelles were explored by dissipative particle dynamics (DPD) simulations. Simulation results show that DHA-PBLG-PCB can self-assemble into core-shell micelles; in addition, the drug-loaded micelles have a pH-responsive feature. DOX can be encapsulated into the core-shell micelle under normal physiological pH conditions, whereas it can be released under acidic pH conditions. The self-assembled behaviors of copolymer DHA-PBLG-PEG were also studied to have a comparison with those of DHA-PBLG-PCB. The DHA-PBLG-PCB system has a stable structure and it has a great potential to serve as drug delivery vehicles for targeted drug delivery.
在这项工作中，通过计算机模拟研究了两性离子共聚物二十二碳六烯酸-b-聚(γ-苄基-l-谷氨酸)-b-聚(羧基甜菜碱甲基丙烯酸酯)(DHA-PBLG-PCB)的自组装行为及其抗癌药物阿霉素(DOX)的载药和释放机制。通过耗散粒子动力学(DPD)模拟研究了聚合物浓度、药物含量和 pH 值对聚合物胶束的影响。模拟结果表明，DHA-PBLG-PCB 可以自组装成核壳胶束;此外，载药胶束具有 pH 响应特性。在正常生理 pH 条件下，DOX 可以被包封到核壳胶束中，而在酸性 pH 条件下可以释放。还研究了共聚物 DHA-PBLG-PEG 的自组装行为，以便与 DHA-PBLG-PCB 进行比较。DHA-PBLG-PCB 体系具有稳定的结构，有望成为靶向药物递送的药物载体。
