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. 2021 Feb 18;11:4049. doi: 10.1038/s41598-021-83626-x

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© The Author(s) 2021, corrected publication 2021

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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2D structure obtained during the pharmacophore modeling showing the hydrophobic interaction depicting yellow color and the interaction with the amino acid residues in our selected XIAP protein. Hydrogen bond donor (HBD) features most frequently participated in ligand–protein interaction were shown in green color, whereas the red color showing the interaction of Hydrogen bond acceptors (HBA) to the oxygen, nitrogen atom of the benzine ring and its different side chains. Hydrogen atoms as well as restricted area maintain the shape and position of the binding pocket did not mention in the figure.