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. 2024 Feb 16;15:1320092. doi: 10.3389/fendo.2024.1320092

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Copyright © 2024 Wu, Wong, Chen, Yang, Chen, Sun, Zhou, Liu, Yang, Bi, Hung, Li and Zhao

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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The binding modes of five potential inhibitors identified from Perillae Folium with XDH. The purple substance represents XDH while the green one stands for a potential inhibitor. Each inhibitor interacts with the amino acid of XDH via H-bonds (green) or unfavorable donor-donor bonds (red). The number in Å above the bond indicates the distance of the bond. The upper layer of the diagram indicates all of the five potential inhibitors bind to the active sites of the XDH, including (A) ZS025 (scutellarein); (B) ZS056 (Benzyl alpha-D-mannopyranoside); (C) ZS090 (Elemol); (D) ZS093 (Diisobutyl phthalate); (E) ZS252 [(3R)-hydroxy-beta-ionone] in the lower layer.