2.11.2. Characterization of Receptors

The crystal structures of catalase (CAT), glutathione (GSH), and proinflammatory cytokines (IL-6 and TNF-α) were acquired from RCSB Protein Data Bank (PDB), with PDB ID: 1DGB (https://www.rcsb.org/structure/1dgb) for CAT; PDB ID: 3DK4 (https://www.rcsb.org/structure/3dk4) for GSH; PDB ID: 4ZS7 (https://www.rcsb.org/structure/4zs7) for IL-6; and PDB ID: 4TWT (https://www.rcsb.org/structure/4twt) for TNF. By means of Auto Dock Tools 1.5.6, the crystal structures of numerous receptors were modeled and purified. Then, polar hydrogen and partial charges were added. For analysis, interactions with the respective ligand macromolecules were saved in the relevant PDBQT format.³⁰ The most prominent active region of the enzyme along with the residues of amino acids was selected by pointing to the binding site involving ligand binding.³¹