Award
National Eye Institute (NEI), National Institute of Neurological Disorders and Stroke (NINDS) 1R21EY038741-01
High-Throughput Computational Pipeline for Rapid Development of Photocaged Peptide Tools
Recipient
Utah State Higher Education System--University of Utah
Award Amount
$616,000.00
Ceiling
$616,000.00
Awarded
July 20, 2026
Identifier
1R21EY038741-01
Development of an open-source computational pipeline for designing photocaged neuropeptides to enable precise light-induced activation, reducing development time and costs.
Description
This project aims to develop a generalizable, open-source computational machine learning pipeline for the rapid, rational design of photocaged neuropeptides. The pipeline will integrate solvent-accessibility mapping, receptor docking, and molecular dynamics simulations leveraging experimentally resolved structures and AI-predicted AlphaFold2 models. The goal is to generate neuropeptide analogs that prevent GPCR binding in darkness but restore activity after photolysis, enabling precise light-induced activation. The project will synthesize and validate top analogs through high-throughput assays and electrophysiological studies, significantly reducing peptide development timelines and costs.