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• W4327861808 abstract "Abstract Secreted proteins are extracellular ligands that play key roles in paracrine and endocrine signaling, classically by binding cell surface receptors. Experimental assays to identify new extracellular ligand-receptor interactions are challenging, which has hampered the rate of novel ligand discovery. Here, using AlphaFold-multimer, we developed and applied an approach for extracellular ligand-binding prediction to a structural library of 1,108 single-pass transmembrane receptors. We demonstrate high discriminatory power and a success rate of close to 90 % for known ligand-receptor pairs where no a priori structural information is required. Importantly, the prediction was performed on de novo ligand-receptor pairs not used for AlphaFold training and validated against experimental structures. These results demonstrate proof-of-concept of a rapid and accurate computational resource to predict high-confidence cell-surface receptors for a diverse set of ligands by structural binding prediction, with potentially wide applicability for the understanding of cell-cell communication." @default.
• W4327861808 created "2023-03-20" @default.
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• W4327861808 date "2023-03-17" @default.
• W4327861808 modified "2023-10-05" @default.
• W4327861808 title "Rapid and accurate deorphanization of ligand-receptor pairs using AlphaFold" @default.
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• W4327861808 doi "https://doi.org/10.1101/2023.03.16.531341" @default.
• W4327861808 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36993313" @default.
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