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. 2020 Jul 8;10:11207. doi: 10.1038/s41598-020-67466-9

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© The Author(s) 2020

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Binding mode of dafachronic acids on model of DimDAF-12 ligand binding domain. A In silico docking of dafachronic acids (DAs) into the model of DimDAF-12 LBD was performed using Autodock. Δ4-DA and Δ7-DA bind inside the ligand binding pocket of DimDAF-12. The structures of Δ4-DA (B) and Δ7-DA (C) differ in the position of an unsaturated double bond respectively at C4 or C7 of the steroid nucleus. H-bonds are illustrated by yellow dashed lines with bond lengths noted in Å. All images were generated using PyMol 1.3 (https://pymol.org/2/).