Discovery of Specific Inhibitors for Intestinal E. coli  β-Glucuronidase through In Silico Virtual Screening

Figure 4

Binding model of compound 4041. Predicted binding mode of compound 4041 in the active site of eG from the docking study. Compound 4041 (yellow) and some amino acid residues (cyan) interacting with the inhibitor are shown as stick structures. The red dashed lines indicate hydrogen-bonding interactions. The residues L361 and I363 (purple) in the bacterial loop make hydrophobic contact with compound 4041.