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. 2020 Oct 2;10:16438. doi: 10.1038/s41598-020-73442-0

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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 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/.

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In silico molecular docking shows the binding interaction of serverogenin acetate ([3,12-diacetyloxy-10,14-dimethyl-13-oxo-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-7-yl] acetate) compound with α-amylase target protein (i-tasser) based on the binding energy generated by AutoDock program. (a) A hydrogen-bond interaction is formed by O26 in HE2, O27 in HE1, O34 in HE2, TRP59 (grey arrow), GLN63 (orange arrow), HIS305 (pink arrow) and ASP356 (purple arrow) in the serverogenin acetate compound. (b) A close-up view of serverogenin acetate compound that binds to the α-amylase target protein. (c) Binding pose of α-amylase target protein with serverogenin acetate compound.