FIG. 5.

Molecular docking (CDOCKER) of SolB, 4-ME, or KET to CYP2E1 or CYP3A4. A, The three-dimensional diagram showed the binding conformation of 4-ME (red), SolB (yellow) with CYP2E1. The heme of CYP2E1 is shown in gray. C, The three-dimensional diagram showed the binding conformation of KET (red), SolB (yellow) with CYP3A4. The heme of CYP3A4 was shown in gray. B and D, The two-dimensional diagrams displayed the docking model of SolB in active site of CYP2E1 and CYP3A4, respectively. The residue colors represent the types of interactions as follows: green (Van der Waals); purple (electrostatic); orange (Pi interaction); and blue arrows (hydrogen bond).