Figure 3 | Scientific Reports

Figure 3

From: Mechanistic insights into the Japanese encephalitis virus RNA dependent RNA polymerase protein inhibition by bioflavonoids from Azadirachta indica

Figure 3

3D and 2D docked poses of the selective bioflavonoids, i.e., (a,b) Gedunin, (c,d) Nimbolide, (e,f) Ohchinin acetate, and (g,h) Kulactone, collected at 4 Å space around the ligand within in the active site of jRdRP protein. In 3D structures, protein surface and ligand surface were rendered based on the alpha-carbon and atomic charge, respectively. While in 2D maps, hydrogen bond formation (pink arrows), hydrophobic (green), polar (blue), red (negative), violet (positive), glycine (grey) interactions are logged for docked complexes of jRdRp with selected bioactive compounds.

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