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. 2022 Sep 9;12(9):1407. doi: 10.3390/life12091407

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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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(A) Three-dimensional and (B) two-dimensional binding modes of S88 in the active site of PLpro. As shown in Figure 6, compound 76 expressed a ΔG of −51.63 into the PLpro active site. Compound 76 made four HBs with Tyr265, Thr302, Tyr274, and Gln270. Moreover, the aromatic systems were included in many HIs with Asp165, Pro249, Tyr265, Gly164, Leu163, and Tyr269.

(A) Three-dimensional and (B) two-dimensional binding modes of S88 in the active site of PLpro. As shown in Figure 6, compound 76 expressed a ΔG of −51.63 into the PLpro active site. Compound 76 made four HBs with Tyr265, Thr302, Tyr274, and Gln270. Moreover, the aromatic systems were included in many HIs with Asp165, Pro249, Tyr265, Gly164, Leu163, and Tyr269.