NAD(P)+–NAD(P)H Models. 82. Effect of Magnesium Ion on the Stereospecificity and Conformations at the Ground and Transition States of the Reaction

Conformations of 3-[methyl(α-methylbenzyl)carbamoyl]-1,2,4-trimethyl-1,4-dihydroquinoline ((4R)-Me3MQPH) in the presence and absence of magnesium ion have been studied. The major conformation at the ground state of Me3MQPH changes largely when this molecule forms a complex with a magnesium ion. The conformations at the ground and transition states will be discussed in relation to the stereospecificity of the reaction of this compound with quinones.