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Alpha-hemolysin nanopore allows discrimination of the microcystins variants

机译：α-溶血素纳米孔可区分微囊藻毒素变体

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Microcystins (MCs) are a class of cyclic heptapeptides with more than 100 variants produced by cyanobacteria present in surface waters. MCs are potent hepatotoxic agents responsible for fatal poisoning in animals and humans. Several techniques are employed in the detection of MCs, however, there is a shortage of methods capable of discriminating variants of MCs. In this work we demonstrate that the α-hemolysin (αHL) nanopore can detect and discriminate the variants (LR, YR and RR) of MCs in aqueous solution. The discrimination process is based on the analysis of the residence times of each variant of MCs within the unitary nanopore, as well as, on the amplitudes of the blockages in the ionic current flowing through it. Simulations of molecular dynamics and calculation of the electrostatic potential revealed that the variants of MCs present different charge distribution and correlated with the three patterns on the amplitudes of the blockages in the ionic current. Additionally, molecular docking analysis indicates different patterns of interaction of the variants of MCs with two specific regions of the nanopore. We conclude that αHL nanopore can discriminate variants of microcystins by a mechanism based mainly on electrostatic interaction. Finally, we propose the use of nanopore-based technology as a promising method for analyzing microcystins in aqueous solutions.
机译：微囊藻毒素（MCs）是一类环状七肽，地表水中存在由蓝细菌产生的100多种变体。 MC是有效的肝毒性药物，可导致动物和人类致命中毒。 MC的检测中采用了几种技术，但是，缺少能够区分MC变体的方法。在这项工作中，我们证明了α-溶血素（αHL）纳米孔可以检测和区分水溶液中MC的变体（LR，YR和RR）。判别过程基于对MC每种变体在单一纳米孔中的停留时间以及流过它的离子电流中的阻滞幅度的分析。分子动力学的模拟和静电势的计算表明，MC的变体呈现不同的电荷分布，并且与离子电流中的阻塞幅度的三个模式相关。另外，分子对接分析表明MC的变体与纳米孔的两个特定区域相互作用的不同模式。我们得出结论，αHL纳米孔可以通过主要基于静电相互作用的机制来区分微囊藻毒素的变体。最后，我们建议使用基于纳米孔的技术作为分析水溶液中微囊藻毒素的有前途的方法。

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