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. 2023 Jun 8;14:1188482. doi: 10.3389/fimmu.2023.1188482

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Copyright © 2023 Chen, Ma, Yin and Liang

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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Identification of small molecular drugs targeting PHB1. (A) Small molecular drugs mining flow chart. (B) Domain organization of H. sapiens Prohibitin protein. (C) Venn diagram of drug screening. (D) Number of ubiquitination sites with binding affinity ≤ -7 for the four top drugs. (E) Protein conformation of PHB1 containing ubiquitination site, the blue structural sequence of protein is SPFH2, CC1 and CC2. (F) The chemical structure of Bemcentinib. (G) The binding model of PHB1 and Bemcentinib with the best affinity to ubiquitination site. The left panel shows the global view of PHB1 binding to ligands, and the right panel shows the focused view of binding sites.