Insights into molecular mechanisms of drug metabolism dysfunction of human CYP2C9*30
Fig 7
The most representative three docking positions obtained by structural clustering with RMSD of 4 Å over each substrate.
The ligands are represented as blue sticks for WT and red sticks for A477T mutant. (A) diclofenac, (B) flurbiprofen, (C) glimepiride, (D) losartan and (E) warfarin. (F) The experimentally known positions of flurbiprofen and warfarin, both represented in sticks. CYP2C9 is represented in white cartoon, Cpd I in sticks and A/T477 residue is represented by a purple sphere.