Virtual Screening as a Strategy for the Identification of Xenobiotics Disrupting Corticosteroid Action
Figure 8
AB110873 binds to both 11β-HSD2 and MR.
Proposed binding modes of AB110873 in 11β-HSD2 (A,B) and in the MR (C,D). In the 3D-figures, selected amino acid residues are highlighted with ball and stick, and the receptor binding pockets are colored by aggregated lipophilicity (grey)/hydrophilicity (blue). The 2D figures represent the binding interactions, color-coded as following: red arrow – hydrogen bond acceptor, yellow – hydrophobic interaction.