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. 2022 Jun 30;14(7):1458. doi: 10.3390/v14071458

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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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The electrostatic potential map (−68.065 and +68.065 a.u, in red and blue, respectively) of the best docking poses for the flavonoids (A) isoflavone, (B) flavones, and (C) flavonols in the SARS-CoV-2 nsp14 ExoN active site in the presence of one and two Mg(II) ions (left and right, respectively). The catalytic amino acid residues, genistein, apigenin, luteolin, fisetin, kaempferol, myricetin, and quercetin are in stick representation in cyan, violet, pink, brown, gray, light green, purple, and marine, respectively. Mg(II) and Zn(II) ions are represented as green and indigo blue spheres, respectively. Hydrogen, oxygen, and nitrogen are shown in white, red, and dark blue, respectively.