Figure 5

Docked poses: Binding mode of top ranked docked poses into ASMT binding cavity: (a) AutoDock/Vina (b) GOLD (c) FlexX (d) FRED For clarity, only interacting important residues are displayed in CPK style. The inhibitors were designed in licorice style, and part of the enzyme in the background was visualized in New Ribbon style using the VMD (Visual Molecular Dynamics) program.