FIGURE 8.

Predicted binding sites for RAI-13 bound to DENV RdRp (A,B) and hNV RdRp (C,D). Left panel: The polymerases are shown in cartoon representation with the backbone atoms depicted in yellow (DENV RdRp) and green (hNV RdRp). RAI-13 and the important residues for the polymerase-ligand interactions were shown as sticks. For clarity, only polar hydrogen atoms were depicted in the figures. Right panel: the 2D ligand-polymerase interaction diagrams. Residues within 4 Å of RAI-13 are displayed. Hydrogen bond is represented by the arrows with the distance between the donor and the acceptor. The ⊓⁣−⁣−⁣⊓ stacking and salt bridge are shown in green and purple lines, respectively. Here the color code is that dark blue is positive charged, red is negative charged, light blue is polar, green is hydrophobic, and white is glycine.