A theoretical study on coenzyme Q_10 and its reduced form. AM1 treatment

摘要

Coenzyme Q_10 (CoQ_10) and its reduced form, ubiquinol (CoQ_10H_2) were subjected to semiempirical quantum chemical treatment at the level of AM1-RHF type calculations. Both of the structures are stable having negative total and binding energies and exothermic heats of formation. The frontier molecular orbital characteristics, electrostatic contour diagrams and charge distributions of these structures were presented.