Co-assembly of amphiphilic triblock copolymers with DNA-polymer targeting ligands in solution.

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL
Soft Matter Pub Date : 2025-06-25 DOI:10.1039/d5sm00107b
Junwei Zhou, Menghan Zou, Xiandeng Qiu, Rong Wang
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引用次数: 0

Abstract

The development of targeted drug delivery systems is highly valued, which not only improves the therapeutic effect of drugs, but also reduces the amount of drugs used and reduces side effects. By taking advantage of the excellent affinity and specificity of nucleic acid aptamers and co-assembly of targeting ligands with polymers, we used dissipative particle dynamics (DPD) simulations to explore the co-assembly behavior of amphiphilic ABA triblock copolymers and DNA-polymer targeting ligands in dilute solutions. By adjusting interaction parameters and concentrations of various components, we observed the formation of different targeting polymer nanostructures, such as targeting polymeric vesicles, sphere-like micelles, and disk-like micelles. The results show that the inclusion of targeting ligands prolongs the formation time of polymeric vesicles, and by modulating the interactions between DNA beads with hydrophilic beads and solvent beads, the localization of targeting ligands within the vesicles can be precisely controlled. When the interactions between DNA beads with hydrophilic beads aTS is high, the targeting ligands aggregate on the vesicle exterior, while at lower aTS values, they are uniformly distributed inside the vesicles. Additionally, the polymer and targeting ligand concentrations will influence the morphology of the aggregates, transitioning from sphere-like micelles to disk-like micelles and eventually to vesicles, including the mixture of multiple aggregate types under certain conditions. The findings provide theoretical support for the development of multi-targeted polymeric vesicles, advancing the field of precision therapy.

两亲性三嵌段共聚物与dna -聚合物靶向配体在溶液中的共组装。
靶向给药系统的发展受到高度重视,不仅可以提高药物的治疗效果,而且可以减少药物的使用量,减少副作用。利用核酸适体优异的亲和性和特异性以及靶向配体与聚合物的共组装,利用耗散粒子动力学(DPD)模拟研究了两亲性ABA三嵌段共聚物与dna -聚合物靶向配体在稀溶液中的共组装行为。通过调节各组分的相互作用参数和浓度,我们观察到不同靶向聚合物纳米结构的形成,如靶向聚合物囊泡、球状胶束和盘状胶束。结果表明,靶向配体的加入延长了聚合物囊泡的形成时间,并且通过调节DNA微球与亲水性微球和溶剂微球的相互作用,可以精确控制靶向配体在囊泡内的定位。当DNA微球与亲水性微球aTS的相互作用较高时,靶向配体聚集在囊泡外部,当aTS较低时,靶向配体均匀分布在囊泡内部。此外,聚合物和靶向配体的浓度会影响聚集体的形态,从球形胶束转变为盘状胶束,最终转变为囊泡,包括在一定条件下多种聚集体类型的混合物。研究结果为多靶点聚合物囊泡的开发提供了理论支持,推动了精准治疗领域的发展。
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来源期刊
Soft Matter
Soft Matter 工程技术-材料科学:综合
CiteScore
6.00
自引率
5.90%
发文量
891
审稿时长
1.9 months
期刊介绍: Soft Matter is an international journal published by the Royal Society of Chemistry using Engineering-Materials Science: A Synthesis as its research focus. It publishes original research articles, review articles, and synthesis articles related to this field, reporting the latest discoveries in the relevant theoretical, practical, and applied disciplines in a timely manner, and aims to promote the rapid exchange of scientific information in this subject area. The journal is an open access journal. The journal is an open access journal and has not been placed on the alert list in the last three years.
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