Molecular docking of TCDD and Leflunomide in zebrafish AHR isoforms.

Abstract

<p><b>A</b>) TCDD docking orientation in zebrafish AHR2- and <b>B</b>) AHR1B-LBD homology model binding pocket (ICM v3.5-1n, Molsoft). <b>C</b>) Leflunomide docking orientation into AHR2-, <b>D</b>) AHR1B- and <b>E</b>) AHR1A homology model binding pockets. The residues are displayed as sticks and colored by atom type with the carbon atoms in green. The protein backbone is displayed as ribbon and colored by secondary structure. The ligand is displayed as sticks and colored by atom type with carbon atoms in orange (<b>A, C</b>), magenta (<b>B, D</b>) and yellow (<b>E</b>). H-bonds are represented by black dashed lines.</p

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