Soybean aglycones antioxidant activity. A theoretical investigation

This study aimed to evaluate the dietary antioxidant potential of soybean daidzein, genistein and glycitein aglycones taking into account several different strategies usually used for carrying out antioxidant activity. The investigation was performed at B3LYP/6-311++G** density functional theoretical level of theory in gas-phase and in aqueous solution. The main proposed mechanisms through which the antioxidants may play their protective action, known as hydrogen atom transfer, single electron transfer followed by proton transfer, sequential proton loss electron transfer and the metals chelation, have been analysed and discussed in details. Results confirmed that daidzein, genistein and glycitein have good antioxidant properties and may act also as powerful chelating agent of iron (II) metal cation in such a way as to prevent the oxidative stress due the presence of free radicals in the human body. This work represents a further contribution to the elucidation of the beneficial effects on health of these substances.