Chemical Composition of Mentha pulegium and its Contributions to Antimicrobial, Antioxidant, and Insecticidal Activities: Insights from In Vitro and Molecular Docking Studies

Abstract

This study investigated the potential of essential oils (EOs) derived from Mentha pulegium in two Algerian regions, Attatba and Hammam Melouane, as sources of bioactive compounds with antimicrobial, antioxidant, and insecticidal properties. Botanical surveys confirmed the presence of three Mentha species (Mentha spicata, M. pulegium, and Mentha rotundifolia) in Attatba, along with a fourth species (Mentha suaveolens) in Hammam Melouane. Gas chromatography-mass spectrometry (GC-MS) analysis revealed distinct chemotypes: the EO from Hammam Melouane presented a pulegone-dominant profile (61%), whereas the EO from Attatba presented (+)-limonene/piperitone/piperitenone chemotypes of 41.99%, 23.08%, and 12.06%, respectively. The antioxidant potential of M. pulegium EOs from both sites was assessed and found to be weak. Insecticidal assays against Aphis spiraecola demonstrated that both formulations had mortality rates ranging from 31.34 +/- 1.7% to 81.04 +/- 1.78% and from 45.17 +/- 0.88% to 94.4 +/- 1.10%, respectively. The LD50 values against A. spiraecola were determined to be 107.6 mu L/mL for Hammam Melouane and 142.3 mu L/mL for Attatba. Furthermore, molecular docking simulations revealed that piperitenone is a significant multitarget compound, with high binding affinities of -6.4 kcal/mol for DNA gyrase (1KZN), -5.3 kcal/mol for human peroxiredoxin (1HD2), and -7.4 kcal/mol for acetylcholinesterase (4EY7). This study confirms the insecticidal properties of M. pulegium EOs from the Attatba and Hammam Melouane regions, underscoring the potential of M. pulegium EO in the discovery of new therapeutic agents and highlighting its significance for future applications.