Fig. 7
From: Hesperidin identified from Citrus extracts potently inhibits HCV genotype 3a NS3 protease
Docking of hesperidin in the active site of NS3 protease. A The region in the vicinity of active site residues (His57, Asp81, and Ser139; colored red) selected for docking of hesperidin is depicted with a blue circle. The receptor protein (NS3 protease of HCV genotype 3a) is colored in cyan. B The complex consisting of the receptor protein (colored cyan) and the docked molecule (hesperidin; shown as magenta sticks) in the vicinity of active site residues (colored red) is shown. C The docking complex showing the interaction of hesperidin (shown as magenta sticks) with active site residues (shown as red sticks) is presented. It is suggested that hesperidin inhibits NS3 protease by forming hydrogen bonds (shown as blue dotted lines) with active site residues (His57, Asp81, and Ser139)