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首页> 外文期刊>RSC Advances >Interaction landscape of a ‘CαNN’ motif with arsenate and arsenite: a potential peptide-based scavenger of arsenic
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Interaction landscape of a ‘CαNN’ motif with arsenate and arsenite: a potential peptide-based scavenger of arsenic

机译：“CαNN”基序与砷酸盐和亚砷酸盐的相互作用态势：潜在的基于肽的砷清除剂

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Arsenic (As) is a toxic metalloid that has drawn immense attention from the scientific community recently due to its fatal effects through its unwanted occurrence in ground water around the globe. The presence of an excess amount of water soluble arsenate and/or arsenite salt (permissible limit 10 μg L ~(?1) as recommended by the WHO) in water has been correlated with several human diseases. Although arsenate (HAsO _(4) ~(2?) ) is a molecular analogue of phosphate (HPO _(4) ~(2?) ), phosphate is indispensable for life, while arsenic and its salts are toxic. Therefore, it is worthwhile to focus on the removal of arsenic from water. Towards this end, the design of peptide-based scaffolds for the recognition of arsenate and arsenite would add a new dimension. Utilizing the stereochemical similarity between arsenate (HAsO _(4) ~(2?) ) and phosphate (HPO _(4) ~(2?) ), we successfully investigated the recognition of arsenate and arsenite with a naturally occurring novel phosphate binding ‘C ~(α) NN’ motif and its related designed analogues. Using computational as well as biophysical approaches, for the first time, we report here that a designed peptide-based scaffold based on the ‘C ~(α) NN’ motif can recognize anions of arsenic in a thermodynamically favorable manner in a context-free system. This peptide-based arsenic binding agent has the potential for future development as a scavenger of arsenic anions to obtain arsenic free water.
机译：砷（As）是一种有毒的准金属，由于其在全球地下水中的有害存在而造成的致命影响，最近引起了科学界的广泛关注。水中存在过量的水溶性砷酸盐和/或砷酸盐（WHO建议的允许极限为10μgL〜（？1））与几种人类疾病有关。尽管砷酸盐（HAsO _（4）〜（2？））是磷酸盐的分子类似物（HPO_（4）〜（2？）），但磷酸盐在生命中是必不可少的，而砷及其盐是有毒的。因此，有必要集中精力从水中去除砷。为此，用于识别砷酸盐和亚砷酸盐的基于肽的支架的设计将增加新的领域。利用砷酸盐（HAsO _（4）〜（2？））和磷酸盐（HPO _（4）〜（2？））之间的立体化学相似性，我们成功研究了砷酸盐和砷酸盐与天然存在的新型磷酸盐结合的识别作用' C〜（α）NN'基序及其相关设计类似物。首次使用计算和生物物理方法，在此我们报道基于“ C〜（α）NN”基序的设计的基于肽的支架可以在热力学上有利的方式在无上下文的情况下识别砷的阴离子。系统。这种基于肽的砷结合剂具有潜在的发展潜力，可以作为砷阴离子的清除剂来获得无砷的水。

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