Fig. 8: In silico and biophysical characterization of drugs with 14-3-3ζ. | Cell Death & Disease

Fig. 8: In silico and biophysical characterization of drugs with 14-3-3ζ.

From: A high-throughput screening approach to discover potential colorectal cancer chemotherapeutics: repurposing drugs to identify novel disruptors of 14-3-3 proteins

Fig. 8

Induced Fit docking and surface plasmon resonance (SPR) sensograms of FTY720 (A), penfluoridol (B), lomipatide (C), and terfendadine (D). Docked structures of drugs are within the amphipathic binding groove of 14-3-3ζ (PDB: 2C1J) Residues within 4 Å are shown in green and ligands are shown in cyan. Hydrogen bonds are shown as dashed yellow lines, aromatic H-bonds as blue dashed lines, and π-cation interactions as green dashed lines. SPR assays were based on concentrations between 0.00009−0.05 mM running over an immobilized 14-3-3ζ; constant or local fitting of the association and dissociation curves (black).

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