In silico design of novel probes for the atypical opioid receptor MRGPRX2

High-throughput screening identifies opioid compounds and prodynorphin-derived peptide agonists of the G-protein-coupled receptor MRGPRX2 and informs a homology model that is used for in silico screening to find a small-molecule probe that provokes degranulation in mast cells, which express this receptor.