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. 2020 Dec 9:1–12. doi: 10.1080/07391102.2020.1858164

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Figure 4. — Identification of binding residues/modes within Mpro-sinigrin and Mpro-hesperetin complex after MD run. The docked conformation of the Mpro-sinigrin complex (A) and Mpro-hesperetin complex (B) depicting the possible interactions with various amino acids of Mpro after 100 ns MD run. Both these polyphenols are shown to interact with His41 and Cys145 of Mpro.