Article Figures & Data
Additional Files
Data Supplement
- Supplemental Data -
Supplementary Table 1 -Docking scores of the 9 lowest energy poses of CsA, NBD-CsA and BD-CsA docked into human P-gp structure (6QEX.pdb).
Supplementary Table 2 - List of amino acid residues present within a 5Å distance of CsA, NBD-CsA and BD-CsA in pose 1 obtained by docking in the drug-binding pocket of human P-gp structure (6QEX.pdb).
Supplementary Figure 1 - HPLC trace of purified BD-CsA: Histogram showing the HPLC trace of compound 6,referring to BD-CsA purity.
Supplementary Figure 2 - Mass spectrum of BD-CsA: Histogram showing MS spectra of compound 6, purified as BD-CsA. The single peak at 1534.3 Da indicates compound purity.
Supplementary Figure 3 - BD-CsA is a substrate for mouse P-gp: HeLa cells were transduced with BacMam baculovirus to express mouse P-gp and untransduced cells were used as a control.
Supplementary Figure 4 - Efflux of BD-CsA and NBD-CsA by human ABCG2 and MRP1: (A-C) HeLa cells were transduced with BacMam baculovirus to express human ABCG2 and untransduced cells were used as a control.
Supplementary Figure 5 - Effect of BD-CsA and NBD-CsA on ATPase activity of P-gp: ATPase activity of human P-gp was assayed in insect cell membrane vesicles and the effect of BD-CsA or NBD-CsA at indicated concentrations was measured as described in the Materials and Methods.
Supplementary Figure 6 - Fluorescence emission spectra of BD-CsA and NBD-CsA: Histogram showing the fluorescence emission spectra of BD-CsA (blue circles) and NBD-CsA (red squares), with excitation at 460 nm.
- Supplemental Data -