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. 2021 Jun 18;22(12):6551. doi: 10.3390/ijms22126551

Figure 4.

Figure 4

The best docking pose of estrone (above) and bazedoxifene (below) to the SARS−CoV−2 main protease structure (Mpro) (A,C) and papain-like protease (PLpro) trimer (B,B1,D,D1). Pymol representation of the SARS−CoV−2 main protease (PDB id 6y7b) shown as a green ribbon with the secondary structure elements indicated. In blue sticks: the best docking pose for estrone (A) or bazedoxifene (C). The best docking poses of the estrone (B,B1) and bazedoxifene (D,D1) molecule in PLpro trimer (PDB id 6w9c) are localized in the vicinity of the zinc ion present at the central interface of the trimer.