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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 cluster network of Perillae Folium compounds based on structural similarity. (A) The visualization of similarity scores of 328 compounds from Perillae Folium compared with febuxostat. Green nodes represent febuxostat, while other nodes stand for compounds of Perillae Folium. (B) The cluster network of 328 Perillae Folium compounds based on binding affinity and structural similarity. Colors of nodes stand for the binding affinity of PF compounds to XDH while the size of nodes is determined by a formula according to binding energy and similarity. A larger node implicates a lower binding affinity and a higher similarity score with the vicinal compounds.