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. 2021 May 21;12:673818. doi: 10.3389/fphar.2021.673818

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Copyright © 2021 Wang, Shi, Li, Li, Zhang, Bai, Li, Liang and Tang.

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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8-ol targets HMGB1 and changes the secondary conformation and disturbs the binding with LPS. (A) 3D binding mode diagrams between HMGB1 and the chemical 7-PMQ-8-ol. The protein is shown in the cartoon and colored in gray, and the chemical is colored in green. The key amino acid residues were shown as sticks. Docking score is −7.99 kcal/mol. (B) 2D binding mode illustrates the key amino acid residues in the ligand–protein complexes. (C) CD spectra of the chemical 8-ol between HMGB1. (D) The LPS-binding capacity of HMGB1 incubated with different concentrations of the chemical 8-ol.