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. 2021 Oct 2;22(19):10693. doi: 10.3390/ijms221910693

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© 2021 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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2D (left) and 3D (right) of tomatidine (A) and patchouli alcohol (B) with the active site of COVID-19 6W9C. (A): Tomatidine-Papain-like protease (PDB ID: 6W9C) (Gold Fitness Score37.49); Type of the binding: van der Waals: Val165, Asp164, Tyr273, Gly163, Tyr268, Leu162, Ser245, Ala246, Thr301, Asn267, Pro247, Met208, Arg166; C-H bonds: Gln269; Alkyl/Pi-Alkyl: Tyr264, Pro248. (B): Patchouli alcohol-Papain-like protease (PDB ID: 6W9C) (Gold Fitness Score26.44); Type of the binding: van der Waals: Asp164, Gly163, Thr301, Gly266, Asn267, Pro247, Met208, Arg166; Alkyl/Pi-Alkyl: Pro248, Tyr273, Tyr264.

2D (left) and 3D (right) of tomatidine (A) and patchouli alcohol (B) with the active site of COVID-19 6W9C. (A): Tomatidine-Papain-like protease (PDB ID: 6W9C) (Gold Fitness Score37.49); Type of the binding: van der Waals: Val165, Asp164, Tyr273, Gly163, Tyr268, Leu162, Ser245, Ala246, Thr301, Asn267, Pro247, Met208, Arg166; C-H bonds: Gln269; Alkyl/Pi-Alkyl: Tyr264, Pro248. (B): Patchouli alcohol-Papain-like protease (PDB ID: 6W9C) (Gold Fitness Score26.44); Type of the binding: van der Waals: Asp164, Gly163, Thr301, Gly266, Asn267, Pro247, Met208, Arg166; Alkyl/Pi-Alkyl: Pro248, Tyr273, Tyr264.