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. Author manuscript; available in PMC: 2013 Jun 1.
Published in final edited form as: Pharm Res. 2012 Jun;29(6):1544–1561. doi: 10.1007/s11095-012-0666-z

Figure 8. Superposition of the CoMFA/CoMSIA contour maps over the binding site of a homology-modeled UGT1A9 structure based on a simulated binding model of kaempferol (3-OH).

Figure 8

The UGT1A9 protein is shown in a stick model. Kaempferol is indicated in a ball-and-stick model and the cofactor is shown in a ball-and-stick model with a molecular surface. Panel A: Overlay of the CoMFA steric and electrostatic maps with the UGT1A9 binding site. Panel B–D: Overlay of the CoMSIA steric (B), electrostatic (C), and hydrophobic (D) fields with the UGT1A9 binding site.