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. 2022 Aug 24;15(9):1045. doi: 10.3390/ph15091045

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© 2022 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Amentoflavone (green), kaempferitrin (blue), and 7-O-galloylquercetin (yellow) docking positions on the SARS-CoV-2 Papain-like protease (PLpro) active site are shown on the surface (A). Contacts of SARS-CoV-2 PLpro active site residues with amentoflavone (B), 7-O-galloylquercetin (C), and kaempferitrin (D) are depicted in a two-dimensional diagram. Dashed black lines represent hydrogen bonds; full green lines represent van der Waals interactions; and dashed green lines represents π-π stacking.