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. 2025 Oct 2;16:1642817. doi: 10.3389/fpsyt.2025.1642817

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Copyright © 2025 Shao, Lin and Chen.

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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A three-part scientific diagram showing: A) A network map with yellow nodes COA3 and CD180 connected to multiple green nodes labeled with chemical names. B and C) Molecular structures illustrating interactions between a molecule (in gray) and amino acid residues labeled with letters and numbers in white, red, and blue. — Computational prediction and molecular docking of drugs targeting CD180 and COA3A. (A) Predicted drugs targeting CD180 and COA3.Five drugs (benzo(a)pyrene, cadmium, cadmium chloride, di-n-butylphosphoric acid, and sodium arsenite) were found to co-target both biomarkers (highlighted in red). (B) Molecular docking analysis of CD180 and benzo(a)pyrene. (C) Docking results for CD180 and di-n-butylphosphoric acid.