Structural basis for dual targeting of μ-opioid and nociceptin/orphanin FQ receptors by Cebranopadol. (PubMed, Acta Pharmacol Sin) - Jul 9, 2026 - "Combined with functional mutagenesis and molecular dynamics simulations across the opioid receptor family, these structures identify nonconserved pocket features at positions 2.63 and 7.35 that contribute to potency and selectivity by modulating fluorophenyl-directed interactions and hydrophobic packing around the spiroindole moiety. Together, these findings define a structural framework for understanding the dual agonism of Cebranopadol at μOR and NOPR and provide a working model for improving selectivity over δOR and κOR while preserving the desired dual-target pharmacology."
Journal • Pain
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H Eric Xu; Shi-Yi Shen; Wen Hu; Xin-Yi Huang; Ya-Li Lai; Yue Wang
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