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

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Figure 3. — Molecular docking of two I. indigotica polyphenols (sinigrin and hesperetin) with Mpro. The docked conformation of the Mpro-sinigrin complex (A) and Mpro-hesperetin complex (B) depicting the possible interactions with various amino acids of Mpro. Both of them interact with various amino acid residues including His41 and Cys145 of Mpro.