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Research article

Evolution of pharmacologic specificity in the pregnane X receptor

Sean Ekins¹^,2^,3 , Erica J Reschly⁴ , Lee R Hagey⁵ and Matthew D Krasowski⁴

¹Collaborations in Chemistry, Inc., Jenkintown, PA, USA

²Department of Pharmaceutical Sciences, University of Maryland, Baltimore, MD, USA

³Department of Pharmacology, University of Medicine and Dentistry of New Jersey, Robert Wood Johnson Medical School, Piscataway, NJ, USA

⁴Department of Pathology, University of Pittsburgh, Pittsburgh, PA, USA

⁵Department of Medicine, University of California at San Diego, San Diego, CA, USA

author email corresponding author email

BMC Evolutionary Biology 2008, 8:103doi:10.1186/1471-2148-8-103


Published:	2 April 2008

Additional files

Additional file 1:

Sequence alignment of nine PXRs and the Ciona VDR/PXR. Sequence alignment of the DNA-binding and ligand-binding domains of PXRs and the Ciona intestinalis VDR/PXR

Format: PDF Size: 27KB Download file

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Additional file 2:

Table of activation data for human and zebrafish PXRs by bile salts. Summary of concentration-response data for activation of human and zebrafish PXRs by bile salts

Format: PDF Size: 25KB Download file

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Additional file 3:

Comparison of bile salt activation of human and zebrafish PXRs. Comparison of bile salt synthetic pathways for humans and zebrafish, indicating which bile salts and intermediates activate human and zebrafish PXRs.

Format: PDF Size: 205KB Download file

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Additional file 4:

Table summary of statistics of the pharmacophore models. Summary of the statistics for the pharmacophore models of activation of PXRs.

Format: PDF Size: 19KB Download file

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Additional file 5:

Additional data for zebrafish PXR, Xenopus tropicalis PXR, and Ciona intestinalis VDR/PXR. Summary of data for screening of compounds as possible activators for zebrafish PXR, Xenopus tropicalis PXR, and the Ciona VDR/PXR.

Format: PDF Size: 29KB Download file

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Additional file 6:

HIPHOP model for Ciona VDR/PXR. HIPHOP alignment of carbamazepine, 6-formylindolo-[3,2-b]carbazole, and n-butyl-p-aminobenzoate as activators of Ciona VDR/PXR.

Format: PDF Size: 48KB Download file

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Additional file 7:

Reconstructed ancestral sequences. Detailed data for the reconstruction of ancestral sequences.

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Additional file 8:

Comparison of ligand-binding residues between extant and reconstructed sequences. Conservation of ligand-binding residues in extant and reconstructed PXR sequences.

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Additional file 9:

Intrinsic disorder summary for PXRs, VDRs, and CARs. Summary data for intrinsic disorder predictions for PXR, VDR, and CAR sequences.

Format: PDF Size: 28KB Download file

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Additional file 10:

Intrinsic disorder data for PXRs, VDRs, and CARs. Intrinsic disorder data for each amino acid residue of PXR, VDR, and CAR sequences analyzed.

Format: XLS Size: 1.5MB Download file

This file can be viewed with: Microsoft Excel Viewer