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. 2022 Jun 14;14(25):28615–28627. doi: 10.1021/acsami.2c06420

Figure 7.

Figure 7

Molecular interactions of acriflavine (3,6-diaminoacridine) with RBD domain of human SARS-CoV-2 spike protein. (A) 3,6-Diaminoacridine binding sites (cyan; rendered in ball mode) are located within the RBD of SARS-CoV-2 trimer spike and at the interface between RBD and ACE2 (yellow; rendered in ball mode). More specifically, molecular docking results suggested four different sites of 3,6-diaminoacridine within RBD (all poses are shown in cyan) as presented in Table 2. The energetically lower poses within the RBD (cyan, rendered in stick mode) and at the interface between RBD and ACE2 (yellow, rendered in stick mode) were selected and presented with residues involved in binding (rendered in stick mode, element color code). Hydrogen bonds are marked with black arrows. All nonpolar hydrogen atoms are hidden. (B, C) 2D views of 3,6-diaminoacridine interacting at the interface between RBD and ACE2 (B) and within RBD of SARS-CoV-2 spike protein (C).