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. 2017 Dec 20;7:17952. doi: 10.1038/s41598-017-18231-y

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© The Author(s) 2017

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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Computational docking of ligands in site C. The interaction between ligands and amino acid residues of UGT1A1 (a), rhein with PRO258 ASN264 (b), physcion with PRO258 (c) polygonumnolide C2 withTRP454, PRO258 and ASN264 (d) polygonumnolide C3 with TRP454, PRO258 and ASN264 (e) polygonumnolide C4 with ASN264, MET265 and PRO263). All involved ligands and side chains by element had been coloured.