In-Silico Discovery and Validation of Neuropeptide Y Binding Peptides for Sensors

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 experi-mental and computational approaches. The affinities of the NPY-binding peptides discovered by both methods are equivalent and below the μM 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.