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. 2017 Aug 25;7:9470. doi: 10.1038/s41598-017-09941-4

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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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Molecular docking studies of rutin and vanillin: (A,B) Pocket view of MARK4 binding with rutin shows the hydrogen bond donor-acceptor residues and hydrophobic surface, respectively. (C) 2D schematic diagram of docking model of rutin with MARK4. Residues involved in hydrogen bonding, charge or polar interactions, van der Waals interactions are represented by respective colour indicated in inset of figure. (D) 2D schematic diagram of docking model of vanillin with MARK4. Residues involved in hydrogen bonding, charge or polar interactions, van der Waals interactions are represented by respective colour indicated in inset of figure. (E,F) Pocket view of MARK4 binding with vanillin shows the hydrogen bond donor-acceptor residues and hydrophobic surface, respectively.