Figure 7 | Scientific Reports

Figure 7

From: Meglumine acridone acetate, the ionic salt of CMA and N-methylglucamine, induces apoptosis in human PBMCs via the mitochondrial pathway

Figure 7

Predicted binding poses for MA/PPARα (A–C) and MA/RORα (D,E). Proteins are shown in cartoon representation. Ligands and the residues most contributing to their binding, according to per residue free energy decomposition, are shown by licorice representation (A,D). Surface representation of the protein active site around the bound ligand in licorice representation (C,E). For comparison, X-ray structures with established inhibitors are shown: PDB ID 2P54 (B) and 1N83 (E).

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