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In Silico Discovery and Validation of Neuropeptide-Y-Binding Peptides for Sensors.
The Journal of Physical Chemistry B ( IF 3.3 ) Pub Date : 2019-12-26 , DOI: 10.1021/acs.jpcb.9b09439
Xingqing Xiao 1 , Zhifeng Kuang 2 , B J Burke 2 , Yaroslav Chushak 2 , Barry L Farmer 2 , Peter A Mirau 2 , Rajesh R Naik 2 , Carol K Hall 1
Affiliation  

Wearable sensors for human health, performance, and state monitoring, which have a linear response to the binding of biomarkers found in sweat, saliva, or urine, are of current interest for many applications. A critical part of any device is a biological recognition element (BRE) that is able to bind a biomarker at the surface of a sensor with a high affinity and selectivity to produce a measurable signal response. In this study, we discover and compare 12-mer peptides that bind to neuropeptide Y (NPY), a stress and human health biomarker, using independent and complimentary experimental and computational approaches. The affinities of the NPY-binding peptides discovered by both methods are equivalent and below the micromolar level, which makes them suitable for application in sensors. The in silico design protocol for peptide-based BREs is low cost, highly efficient, and simple, suggesting its utility for discovering peptide binders to a variety of biomarker targets.

中文翻译:

在计算机中发现和验证传感器的神经肽-Y结合肽。

对于人类健康,性能和状态监测而言,可穿戴传感器对汗液,唾液或尿液中发现的生物标志物的结合具有线性响应,目前在许多应用中都受到关注。任何设备的关键部分都是生物识别元件(BRE),它能够以高亲和力和选择性结合传感器表面的生物标记,以产生可测量的信号响应。在这项研究中,我们使用独立的,互补的实验和计算方法,发现并比较了与神经肽Y(NPY)(一种压力和人类健康生物标志物)结合的12-聚体肽。通过这两种方法发现的NPY结合肽的亲和力是等效的,并且低于微摩尔水平,这使其适合用于传感器。
更新日期:2019-12-27
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