Title
In Silico Discovery and Validation of Neuropeptide-Y-Binding Peptides for Sensors
Author
Xingqing Xiao, Zhifeng Kuang, B. J. Burke, Yaroslav Chushak, Barry L. Farmer, Peter A. Mirau, Rajesh R. Naik, Carol K. Hall
Year
2020
Journal
Journal of Physical Chemistry B
Abstract
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.
Instrument
J-815
Keywords
Circular dichroism, Secondary structure, Ligand binding, Protein folding, Sensors, Materials, Biochemistry