engleski

Profile and in silico study of antiradical potency of medicinally important phytochemicals present in peppermint, Mentha piperita var. piperita L.

Peppermint, Mentha piperita var. piperita L., is a hybrid between water mint (Mentha aquatica) and spearmint (Mentha spicata), and is naturally present in central and western Europe. It is a well-known medicinal herb with various beneficial effects that are mostly ascribed to its essential oils. However, additionally to essential oils peppermint contains other bioactive compounds, such as flavonoids and phenolic acids, whose activity may become prominent when administered in the form of tea or other medicinal preparations. Polyphenolic profile of peppermint plant was determined using the Phenol-Explorer database. Study of antiradical potency of determined medicinally significant phytochemicals, such as hesperidin and luteolin, was performed using the MOPAC2012 program package. The geometries of studied compounds and corresponding radicals, anions and radical anions were optimised using the PM7 method, in polar and non-polar medium. Solvent contribution was studied using the COSMO calculations implemented in MOPAC2012. Two mechanisms of free radical scavenging were studied, hydrogen atom transfer (HAT) and sequential proton loss electron transfer (SPLET), single and double processes. Obtained results indicate SPLET as thermodynamically preferred mechanism in polar medium, while HAT was preferred mechanism in non-polar medium. Also results show second HAT and SPLET as less energy demanding than the first ones. Obtained results indicate studied compounds as potent antiradical compounds, what could contribute to some of the health benefits of peppermint.

Mentha piperita var. piperita L. ; phytochemicals ; PM7 ; HAT ; SPLET

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