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. 2021 Sep 16;12(1):73–89. doi: 10.1016/j.jtcme.2021.09.002

Fig. 7.

Fig. 7

The docking simulation between saikosaponin C and the SARS-CoV-2 spike protein. (A) Saikosaponin C (magenta stick) docked with the RBD of the ACE2-free spike protein (cyan cartoon). (B) Saikosaponin C formed several electrostatic interactions (green dashed lines) and hydrophobic interactions (purple dashed lines) with amino acids (cyan sticks) in the RBD of the spike protein. (C) Saikosaponin C docked with the site near the connective interface of the spike-ACE2 complex. The RBD of the spike protein and ACE2 are respectively shown in green and red cartoons. (D) Saikosaponin C formed several electrostatic interactions (green dashed lines) and hydrophobic interactions (purple dashed lines) with amino acids near the connective interface of the spike-ACE2 complex protein.