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. 2021 Sep 6;12:735876. doi: 10.3389/fphar.2021.735876

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Copyright © 2021 Yang, Zhang, Yu, Ma, Li, Wang, Hu, Zou, Liu, Liu, An, Xiang, Guo, Hao and Xu.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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EG is a 5-HT_1B ligand in molecular docking compared with agonist CP-94253. (A) Electrostatic surface model. (B) Schematic representation of crystal structure. (C) Magnified 2D-view of protein-ligand CP-94253 docking into its 5-HT_1B interacting pocket. (D−F) Corresponding representations of EG docking into the same 5-HT_1B interacting pocket as CP-94253. EG: emodin-8-O-β-d-glucopyranoside; 5-HT_1B: serotonin receptor 1B; CP-94253: 4-{5-propoxypyrrolo [3,2-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine.