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. 2024 May 23;55:67. doi: 10.1186/s13567-024-01316-8

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© The Author(s) 2024

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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated in a credit line to the data.

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In silico target prediction and molecular docking analysis of UNA. A Target prediction for UNA (only the top 10 predicted proteins are listed). B The Ramachandran plot statistics of Chlorocebus sabaeus PTPN1 (chloPTPN1) represent the most favourable, additional allowed, generously allowed, and disallowed regions, with percentages of 91.1, 8.2, 0.7, and 0%, respectively. C The Z score of chloPTPN1 was −8.4. D Docked conformation of homoPTPN1 (PDB: 2F71) with UNA. The compound and protein are represented as lines and cartoons, respectively. UNA is coloured red, and the protein homoPTPN1 is coloured yellow. The binding site is shown as a cavity structure. The binding energy of the UNA-homoPTPN1 complex, which was calculated using Autodock, is marked with an asterisk. E Docked conformation of chloPTPN1 with UNA. UNA is coloured red, and the protein chloPTPN1 is coloured green. The binding site is shown as a cavity structure. The binding energy of the UNA-chloPTPN1 complex, which was calculated using Autodock, is marked with an asterisk. F RMSD values of chloPTPN1 (black), UNA (red), and the UNA and chloPTPN1 complex (blue) over the 25 ns simulation time.