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. 2024 Sep 27;39(1):2403744. doi: 10.1080/14756366.2024.2403744

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© 2024 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The terms on which this article has been published allow the posting of the Accepted Manuscript in a repository by the author(s) or with their consent.

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Figure 4. — Assumed binding mode of DprE1 with ligands: molecular interactions with BOK-2 and BOK-3 (a) Molecular alignment of compound BOK-2 within the DprE1 binding pocket: exposing hydrogen bonding and hydrophobic interactions with amino acids His132, Ser228, Tyr314, Lys367, Val365, Asn385, Cys387, Tyr60, and Lys418. (b) Molecular alignment of compound BOK-3 within the DprE1 binding pocket: exposing hydrogen bonding and hydrophobic interactions with amino acids Tyr314, Ser228, Val365, Cys387, and Lys418.