DNA发夹促进截短的八面体纳米笼结构家族中受温度控制的货物封装<a href="#fn1" title="提供电子补充信息（ESI）。参见DOI：10.1039 / c6nr01806h">†</a>,Nanoscale

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DNA发夹促进截短的八面体纳米笼结构家族中受温度控制的货物封装 †
Nanoscale ( IF 5.8 ) Pub Date : 2016-06-13 00:00:00 , DOI: 10.1039/c6nr01806h
Oskar Franch , Federico Iacovelli , Mattia Falconi , Sissel Juul , Alessio Ottaviani , Claudia Benvenuti , Silvia Biocca , Yi-Ping Ho , Birgitta R. Knudsen , Alessandro Desideri

在本研究中，我们研究了使用被截短的八面体DNA笼状支架进行温度控制的货物摄取的机理，该支架被插入结构的一个角的一，二，三或四根发夹形成DNA链功能化。这项研究的灵感来自于我们先前在笼子中用四个发夹形成链对货物酶辣根过氧化物酶进行温度控制可逆封装的演示。然而，在此以前的研究货物摄取的机制并没有直接寻址（Juul的，等人。，温控封装和活性酶的释放在自组装DNA纳米笼，的空腔ACS纳米，2013年，7，9724–9734）。在本研究中，我们结合使用了分子动力学模拟和体外分析以阐明包含DNA笼子的发夹中货物摄取的机制。我们发现，两条发夹形成线对于促进有效的货物摄取是必要且足够的，这与负责封装的结构的一个角完全打开或关闭不符。进行了分子动力学模拟以评估负责包囊的原子运动，并显示两条发夹形成链促进了笼形支架至少一个表面的延伸，从而允许货物蛋白进入结构腔中。因此，所提供的数据表明，货物的摄取不涉及结构的完全打开。相当，

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DNA hairpins promote temperature controlled cargo encapsulation in a truncated octahedral nanocage structure family†

In the present study we investigate the mechanism behind temperature controlled cargo uptake using a truncated octahedral DNA cage scaffold functionalized with one, two, three or four hairpin forming DNA strands inserted in one corner of the structure. This investigation was inspired by our previous demonstration of temperature controlled reversible encapsulation of the cargo enzyme, horseradish peroxidase, in the cage with four hairpin forming strands. However, in this previous study the mechanism of cargo uptake was not directly addressed (Juul, et al., Temperature-Controlled Encapsulation and Release of an Active Enzyme in the Cavity of a Self-Assembled DNA Nanocage, ACS Nano, 2013, 7, 9724–9734). In the present study we use a combination of molecular dynamics simulations and in vitro analyses to unravel the mechanism of cargo uptake in hairpin containing DNA cages. We find that two hairpin forming strands are necessary and sufficient to facilitate efficient cargo uptake, which argues against a full opening–closing of one corner of the structure being responsible for encapsulation. Molecular dynamics simulations were carried out to evaluate the atomistic motions responsible for encapsulation and showed that the two hairpin forming strands facilitated extension of at least one of the face surfaces of the cage scaffold, allowing entrance of the cargo protein into the cavity of the structure. Hence, the presented data demonstrate that cargo uptake does not involve a full opening of the structure. Rather, the uptake mechanism represents a feature of increased flexibility integrated in this nanocage structure upon the addition of at least two hairpin-forming strands.

更新日期：2016-06-13

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