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. 2022 Sep 23;15(10):1184. doi: 10.3390/ph15101184

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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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Molecular binding model of scopoletin within the active site of (a) the main protease (Mpro, PDB: 5R82); (b) within the interface region between the spike RBD (colored cyan) and human ACE2 (colored green), (PDB code: 6M0j); (c) within the active site of RNA helicase, nsp13 (PDB code: 5RL9) obtained by AutoDock Vina in PyRx 0.8 (Scripps Research, La Jolla, CA, USA).

Molecular binding model of scopoletin within the active site of (a) the main protease (Mpro, PDB: 5R82); (b) within the interface region between the spike RBD (colored cyan) and human ACE2 (colored green), (PDB code: 6M0j); (c) within the active site of RNA helicase, nsp13 (PDB code: 5RL9) obtained by AutoDock Vina in PyRx 0.8 (Scripps Research, La Jolla, CA, USA).