Fig. 7
Docking simulations of DM, DMG, PPD, PPT in the Z site of hCES2A (UniProt O00748, build by Swiss-model homology model). The stereo diagram of DM (a), DMG (c), PPD (e), PPT (g). A detailed view of the binding area of DM (b), DMG (d), PPD (f), PPT (h) with surrounding residues. Note that the catalytic triad of hCES2A (SER228, GLU345 and HIS457) are shown as yellow sticks, the surface hydrophobicity scale in left panel is given from brown (3.0) to blue (− 3.0)