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In silico design of novel probes for the atypical opioid receptor MRGPRX2
- Lansu, Katherine;
- Karpiak, Joel;
- Liu, Jing;
- Huang, Xi-Ping;
- McCorvy, John D;
- Kroeze, Wesley K;
- Che, Tao;
- Nagase, Hiroshi;
- Carroll, Frank I;
- Jin, Jian;
- Shoichet, Brian K;
- Roth, Bryan L
Published Web Location
https://doi.org/10.1038/nchembio.2334Abstract
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.
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