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. 2020 Apr 24;11:703. doi: 10.3389/fimmu.2020.00703

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Copyright © 2020 Callahan, Kammala, Syed, Yang, Occhiuto, Nellutla, Chumanevich, Oskeritzian, Das and Subramanian.

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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Molecular docking studies of osthole and MRGPRX2. (A) Labeled schematic of the MRGPRX2 receptor including the seven transmembrane helices (H), extracellular (ECL) and intracellular (ICL) loops, and the N- and C-termini is shown. (B) Predicted molecular model of native MRGPRX2 and (C) chemical structures of compound 48/80, substance P and osthole are shown. (D) Top view and side view of predicted molecular docking of compound 48/80, substance P and osthole with MRGPRX2 are shown. The region where the ligands or osthole are predicted to interact with the receptor is encircled (white oval).