Insecticidal Potential of Essential Oils from Ammi visnaga L. and Trachyspermum ammi L. against Sitophilus oryzae (L.) and In Silico Study of Their Major Constituents

There is a high interest in utilizing natural bioactive products derived from plants as a substitute for synthetic chemicals in the industry. This research focuses on the phytochemical composition of essential oils (EOs) of Ammi visnaga L. and Trachyspermum ammi L and their insecticidal activity against Sitophilus oryzae (L.), a common pest found in stored cereals. The EOs were extracted through steam distillation and analyzed using gas chromatography coupled with mass spectrometry (GC-MS). The EOs of A. visnaga consisted of twenty-four components, with Abietadiene (41.23%) being the most abundant, followed by linalool (25.54%) and limonene (19.04%). On the other hand, the EOs of T. ammi consisted of twenty-eight main components, with isothymol being the most abundant (51.88%). The results revealed that the EOs of T. Ammi (DL50 = 0.1 mu L EOs/L of air) were more toxic than A. visnaga (0.38 mu L EOs/L of air), with the toxicity varying based on doses and exposure periods. To further understand the molecular mechanisms underlying this activity, molecular docking and dynamic simulations were performed using the major chemical constituents of the oils. The simulation results indicated that the major compounds, Abietadiene and isothymol, interact with the catalytic sites of the target proteins, inhibiting acetylcholinesterase and chitin synthase. These interactions form energetically favorable systems that remain stable throughout the molecular dynamic period. This research provides valuable insights into the potential of these EOs as natural insecticides and highlights the importance of molecular modeling in understanding the biological activities of plant-derived compounds.