Thymoquinone effect on the Dictyostelium discoideum model correlates with functional roles for glutathione S-transferases in eukaryotic proliferation, chemotaxis, and development
Fig 1
Computational model showing the binding interactions of thymoquinone (TQ) with DdGSTA2 and DdGSTA3.
A and B: DdGSTA2 and DdGSTA3 isozymes and corresponding 2D diagrams of the ligand interaction map for TQ. Interactions with TQ illustrate hydrogen-bonding or electrostatic interaction at the binding pocket. For DdGSTA2, the 2D interaction map contain contact residue in the pocket and details of one π-π interaction is possible with Tyr152. For DdGSTA3, the 2D interaction map contain contact residue in the pocket and details of a π-H interaction is possible with amino acid Val95 and a π-π interaction (π-π) is possible with Trp128.