
pmid: 28651980
Docking studies of 4-phenylthiazolinethione on human IDO1 suggest complexation of the heme iron by the exocyclic sulfur atom further reinforced by hydrophobic interactions of the phenyl ring within pocket A of the enzyme. On this basis, chemical modifications were proposed to increase inhibition activity. Synthetic routes had to be adapted and optimized to yield the desired substituted 4- and 5-arylthiazolinethiones. Their biological evaluation shows that 5-aryl regioisomers are systematically less potent than the corresponding 4-aryl analogs. Substitution on the phenyl ring does not significantly increase inhibition potency, except for 4-Br and 4-Cl derivatives.
3-dioxygenase (IDO), 3, Thiones/chemical synthesis, Indoleamine-Pyrrole 2, Enzyme Inhibitors/chemical synthesis, Structure-Activity Relationship, Aryl-thiazoline thione, Humans, Indoleamine-Pyrrole 2,3,-Dioxygenase, 4-Phenyl thiazolinethione, Enzyme Inhibitors, Anti-cancer, -Dioxygenase/antagonists & inhibitors, Thiones, Stereoisomerism, Molecular Docking Simulation, Thiazolidines/chemical synthesis, Thiazolidines, IDO inhibition, Indoleamine 2
3-dioxygenase (IDO), 3, Thiones/chemical synthesis, Indoleamine-Pyrrole 2, Enzyme Inhibitors/chemical synthesis, Structure-Activity Relationship, Aryl-thiazoline thione, Humans, Indoleamine-Pyrrole 2,3,-Dioxygenase, 4-Phenyl thiazolinethione, Enzyme Inhibitors, Anti-cancer, -Dioxygenase/antagonists & inhibitors, Thiones, Stereoisomerism, Molecular Docking Simulation, Thiazolidines/chemical synthesis, Thiazolidines, IDO inhibition, Indoleamine 2
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