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. 2022 Apr 9;20:2091–2111. doi: 10.1016/j.csbj.2022.04.010

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© 2022 Published by Elsevier B.V. on behalf of Research Network of Computational and Structural Biotechnology.

This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

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Fig. 4 — Docking of 15 ARBs (including the 4 bisartans) to the zinc pocket of the SARS-CoV-2 RBD-ACE2 complex (PDB 6LZG). AutoDock VINA binding energies are illustrated in the central plot with columns. Green columns = the 4 Bisartans; blue columns = other ARBs. Dissociation constants are represented by the orange line with square markers. Based on the VINA docking metric the order of binding was: BisA > BisC > BisD > Telmi > Olme > Azil > BisB > Lo > Cande > Irbe > Dize > Epro > Exp3174 > Lisinopril > Val.