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. 2023 Apr 14;14:2138. doi: 10.1038/s41467-023-37808-y

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© The Author(s) 2023, corrected publication 2023

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 1 — a Epi favors different binding pathways to enter the orthosteric pockets in the β₁AR and β₂AR⁷. b There is space between Epi and F^45.52 to allow the receptor to accommodate for the conformational restriction of the catecholamine (PDB: 4LDO). c The design and synthesis flow of eight possible conformationally-constrained isoprenaline isomers and the chemical structures of (R,R)-c-Epi and (R,R)-c-NorEpi. d The (R,R)-isomer of c-ISO showed the highest affinity to both the β₁AR and β₂AR among all the eight possible isomers. Data were given as mean ± SEM of n = 3 (for 1-4,6), n = 4 (for 5), n = 5 (β₁AR for 7), n = 6 (β₂AR for 7), n = 13 (β₂AR for 8), and n = 14 (β₁AR for 8) independent experiments. e c-ISO, c-Epi, and c-NorEpi showed β₂AR selectivity in a radioligand competition binding assay. Data were given as mean ± SEM of n = 3 (β₁AR for Epi), n = 3(β₂AR for Epi), n = 3 (β₁AR for NorEpi), n = 5(β₂AR for NorEpi), n = 3 (β₁AR for ISO), n = 3(β₂AR for ISO), n = 6 (β₁AR for c-Epi), n = 6 (β₂AR for c-Epi), n = 5 (β₁AR for c-NorEpi), n = 5(β₂AR for c-NorEpi), n = 3 (β₁AR for cISO), n = 3(β₂AR for cISO) independent experiments. Source data are provided as a Source Data file.