Activation of the aryl hydrocarbon receptor by structurally diverse exogenous and endogenous chemicals
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Coenzyme A (CoA), a ubiquitous cellular cofactor associated most often with the tricarboxylic acid (TCA) cycle and fatty acid metabolism, serves as the primary low molecular weight thiol for transmission of disulfide reducing power in Staphylococcus aureus [69, 70]
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According to the model, the carbonyl group of the N-terminal peptide bond of 23 is coordinated to the Zn 2+ ion, whereas the terminal amine is fixed by three glutamate carboxylates (Glu431, Glu487, and Glu295) ( 27 , it was anticipated that the hydroxyl group of the tyrosine side chain of 25 makes a hydrogen-bond with Glu494 of IRAP, an interaction that is lost in the case of 27 according to the free energy perturbation (FEP) analysis (Jespers et al., 2019), explaining the reduction in binding affinity of compound 27 as compared to the analogous compound 25
