Deorphanizing Peptides Using Structure Prediction

doi:10.1021/acs.jcim.3c00378

Deorphanizing Peptides Using Structure Prediction

2023-04-24

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DOI：10.1021/acs.jcim.3c00378

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Many endogenous peptides rely on signaling pathways to exert their function, but identifying their cognate receptors remains a challenging problem. We investigate the use of AlphaFold-Multimer complex structure prediction together with transmembrane topology prediction for peptide deorphanization. We find that AlphaFold's confidence metrics have strong performance for prioritizing true peptide-receptor interactions. In a library of 1112 human receptors, the method ranks true receptors in the top percentile on average for 11 benchmark peptide-receptor pairs.

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Deorphanizing Peptides Using Structure Prediction

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