Essential oils of Mentha pulegium L.: Chemical biodiversity and bioactivity (in vitro and in silico) influenced by geographic variation

Pennyroyal mint (Mentha pulegium), a member of the Lamiaceae family, is valued for its therapeutic properties by people around the world. In Morocco, it has long been recognized for its ability to treat a wide range of diseases. The aim of this study was to gain insight into the phytochemical diversity and biological activities of M. pulegium essential oil. To this end, a comparative analysis of samples from three distinct regions (Marrakesh, Rabat, and Tangier) was conducted using in vitro and in silico methods. The application of gas chromatography-mass spectrometry (GC-MS) allowed the identification of 15 components in MPM (99.94 %), 16 components in MPR (98.02 %), and 12 components in MPT (84.62 %). The most abundant constituents in the oils under study were oxygenated monoterpenes. The oils showed a low antiradical efficacy against DPPH and ABTS+ radicals, whereas they differently inhibited α-amylase and α-glucosidase enzymes. The different effects demonstrated were attributable to the different chemical composition of the investigated oils. In silico analyses of three target enzymes confirmed the binding affinities of the identified compounds in the oils, suggesting their synergistic effect. The essential oil also demonstrated potent insecticidal activity. In particular, the essential oil MPR exhibited a lethal dose of 111.51 μL/mL after 5 min of exposure and a lethal exposure time of 7.60 min. These results suggest that the essential oil, being a valuable source of bioactive compounds, can be used for different industrial applications, including in the food sector.