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. 2021 Jul 29;21(3):273–283. doi: 10.1007/s40268-021-00357-0

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© The Author(s) 2021

Open AccessThis article is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License, which permits any non-commercial 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-nc/4.0/.

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Fig. 2 — Interaction of the novel 13-amino acid peptide inhibitor (13AApi) with the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) spike receptor-binding domain (RBD) restricts its interaction with host cell receptor angiotensin-converting enzyme 2 (ACE2) peptidase domain. Molecular docking complex of the 13AApi (red) with SARS-CoV-2 spike RBD (green) obtained with pyDockWEB. The interacting residues within the 3 Å region are highlighted in cyan and blue, respectively, while the dock scores (kcal/mol) from all three docking suits (pyDockWEB, HDOCK, and ClusPro 2.0) are listed in the table below