The Synergistic Antitumor Effect of Tanshinone IIA Plus Adriamycin on Human Hepatocellular Carcinoma Xenograft in BALB/C Nude Mice and Their Influences on Cytochrome P450 CYP3A4 In Vivo

Figure 8

Interactions of Tan IIA and ADM with PXR protein. (a) The 3D structure of PXR from PDB, with an ID of 4NY9 and a resolution of 2.80 Å. It is constituted by 1 peptide chain, which is composed of 290 amino acid residues. An endogenous ligand (yellow) was found within 4NY9. (b) The binding site 1 (green) contains the structure domain of the endogenous ligand after automatic searching. (c) Ten random poses of Tan IIA binding to the endogenous ligand’s active site after docking, with one residue involved in the interactions potentially: H-bonds with Ser 247. (d) Ten random poses of Tan IIA binding to site 1 after docking, with the same one residue involved in the interactions potentially: H-bonds with Ser 247. (e) Ten random poses of ADM binding to the endogenous ligand’s active site after docking, with six residues involved in the interactions potentially: H-bonds with Lys210, Met243, Ser247, Gln285, Met323, and His407. (f) Ten random poses of ADM binding to site 1 after docking, with five other residues involved in the interactions potentially: H-bonds with Leu206, Leu209, Lys210, Gln285, and His407.

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