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. 2020 Sep 24:1–16. doi: 10.1080/07391102.2020.1824816

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Figure 3. — Two-dimensional structure of Digitoxin and three-dimensional illustration of its interaction with the ACE2 binding pocket of SARS-CoV-2-RBD (A) Representation of 2 D structure of Digitoxin small molecule in complex. The green, light green, and pink spheres represent residues involved inhydrogen bond interactions, the hydrophobic interactions, and Pi-Alkyl interactions, respectively (B) Hydrogen bonds in protein-ligand complex are shown as yellow dotted lines. (C) 3 D illustration of Digitoxin (stick representation) in the binding pocket of SARS-CoV-2-RBD (surface representation) (PDB ID: 6vw1).

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