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. 2022 Dec 29;11(1):85. doi: 10.3390/biomedicines11010085

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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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Docking studies of FDA-approved drugs on M^pro structures: Docking of FDA-approved drugs (shown in stick representation) (A) Iopamidol, (C) Mitoxantrone, (E) Lumefantrine, (G) Dipyridamole, (I) Acebutalol, (K) Ospemifene, (M) Dihydroergotamine, (O) Neratinib, (Q) Palbociclib, (S) Hexoprenaline, (U) Riboflavin, and (W) Pentethine in the substrate-binding pocket of M^pro (Grey surface representation). Carbon, nitrogen, and oxygen are shown in green, blue, and red colors, respectively. (B) A 2D interaction map of drugs, with M^pro highlighting various interactions stabilizing protein–drug interactions. (B) Iopamidol, (D) Mitoxantrone, (F) Lumefantrine, (H) Dipyridamole, (J) Acebutalol, (L) Ospemifene, (N) Dihydroergotamine, (P) Neratinib, (R) Palbociclib, (T) Hexoprenaline, (V) Riboflavin, and (X) Pentethine.

Docking studies of FDA-approved drugs on M^pro structures: Docking of FDA-approved drugs (shown in stick representation) (A) Iopamidol, (C) Mitoxantrone, (E) Lumefantrine, (G) Dipyridamole, (I) Acebutalol, (K) Ospemifene, (M) Dihydroergotamine, (O) Neratinib, (Q) Palbociclib, (S) Hexoprenaline, (U) Riboflavin, and (W) Pentethine in the substrate-binding pocket of M^pro (Grey surface representation). Carbon, nitrogen, and oxygen are shown in green, blue, and red colors, respectively. (B) A 2D interaction map of drugs, with M^pro highlighting various interactions stabilizing protein–drug interactions. (B) Iopamidol, (D) Mitoxantrone, (F) Lumefantrine, (H) Dipyridamole, (J) Acebutalol, (L) Ospemifene, (N) Dihydroergotamine, (P) Neratinib, (R) Palbociclib, (T) Hexoprenaline, (V) Riboflavin, and (X) Pentethine.