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Updated: Aug 14, 2026

Primer-Free Aptamer Selection Using A Random DNA Library

Primer-Free Aptamer Selection Using A Random DNA Library

Published on: July 26, 2010

通过随机道-盆地跳跃-离散分子动力学方法设计分化47蛋白质集群的单链DNA吸收体

Hung-Wei Yang^1,2, Shin-Pon Ju^3,4, Yun-Te Hsieh³

¹Department of Biomedical Engineering, National Cheng Kung University, Tainan City, Taiwan.

Journal of biomolecular structure & dynamics

|June 1, 2023

概括

研究人员设计了aptamers来阻止CD47/SIRPα复合体,这对于免疫逃避和癌症治疗至关重要. 这些体表现出对CD47的无障碍结合,防止SIRPα相互作用并促进癌细胞的消除.

科学领域:

生物物理学的生物物理.
计算生物学计算生物学
免疫学免疫学免疫学

背景情况:

CD47/SIRPα复合体是免疫细胞相互作用的关键调节者,保护健康细胞并影响瘤细胞清除.
针对CD47的基于抗体的疗法已经存在,但用于阻止这种相互作用的aptamer开发仍在进行中.

研究的目的:

设计能够阻断CD47/SIRPα复合体形成的新型体 (AptCD47).
通过计算来评估针对CD47.7的设计aptamers的结合稳定性和阻断效率.

主要方法:

利用MARTINI粗粒度力场和随机道 - 盆地跳跃 - 离散分子动力学 (STUN-BH-DMD) 进行aptamer设计和复杂的识别.
在RMSD和RMSF分析中采用粗粒度分子动力学 (CGMD).
应用推推弹性带 (NEB) 方法来确定最小能量通路和绑定障碍.

主要成果:

设计的体AptCD47与CD47形成稳定的复合体,增强CD47的结构稳定性.
鉴定出两个具有无障碍结合CD47.7的aptamers (5'-ATTCAATTCC-3'和5'-AGTGCAATCT-3') 具有无障碍结合CD47.
对这些阿胺体的计算结合障碍明显低于SIRPα对CD47的结合障碍,表明有效的阻断.

结论:

设计的体酶有效地阻止SIRPα与CD47结合,通过创建一个硬质障碍物.
使用MARTINI CG力场的计算方法对于设计CD47阻断性体是有效的.
这些体具有癌症免疫治疗的潜力,通过防止CD47/SIRPα轴介导的免疫逃避.

关键词:

一个aptamer的设计设计.马尔蒂尼强力场的力量场.分化集群 47分化集群 47分化集群粗粒度分子动力学的粗粒度分子动力学信号调节蛋白 α α α 单链DNA是一种单链DNA.

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