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Molecular Dynamic simulations suggest that juglone-glutathione conjugates could be strong binders to ChaC1 In the absence of direct inhibition of juglone with ChaC1 either by competitive or allosteric mechanisms, the other possibility that remained to be examined was whether the juglone-glutathione conjugate adduct that can form during the interaction of juglone with glutathione can act as a competitive inhibitor of ChaC1

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The Neuroscientist, 14(2), 182-194