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<p>Every year, storage pests like <i>Tribolium castaneum</i> cause significant post-harvest damage to crops. This pest infests stored grains and cereals, posing a considerable challenge for agriculture and the food industry. This highlights the need to find safe and environmentally friendly substitute biopesticides for pest control programs. This investigation centered on essential oils (EO) obtained via hydrodistillation from cultivated and wild <i>Lavandula mairei</i>, a medicinal and aromatic plant endemic to Morocco. The oils were analyzed using GC–MS and evaluated for their insecticidal activity against adult <i>T. castaneum.</i> The lethal concentrations (LC<sub>50</sub> and LC<sub>90</sub>) and lethal times (LT<sub>50</sub> and LT<sub>90</sub>) were determined through contact toxicity bioassays. The results revealed that EO from cultivated <i>L. mairei</i> contains mainly carvacrol (&gt; 76%), which exhibited significant insecticidal effects on <i>T. castaneum</i> with LC<sub>50</sub> values below 2&#xa0;μL/cm<sup>2</sup> and LT<sub>50</sub> ranging from 20 to 40&#xa0;h. The potential mechanism of action of carvacrol was evaluated by molecular docking to the major proteins involved in neurotoxic activity, namely acetylcholinesterase (AChE-1 and 2), GABA receptors (RDL, GRD, and LCCH3), and putative octopamine/tyramine receptor (put Oct/Tyr receptor). The docking simulations predicted favorable binding positions of carvacrol against AChE-1 and 2 (−&#xa0;6.6 and −&#xa0;6.2 kcal/mol, respectively). GABA-RDL and GRD (−&#xa0;4.8 and −&#xa0;5.4 kcal/mol, respectively) and against put Oct/Tyr receptor achieving a score of −&#xa0;5.6 kcal/mol. These results indicate possible neurotoxic modulation of acetylcholinesterase, GABA, and octopamine receptors. In conclusion, the essential oils of <i>L. mairei</i> have significant insecticidal contact toxicity against <i>T. castaneum</i> and warrant further investigation as natural post-harvest crop protectants. The findings suggest that <i>L. mairei</i> essential oils could serve as a sustainable alternative to synthetic pesticides, offering a promising solution to the urgent problem of pest control in management in crop production and storage.</p>

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Insecticidal activity of wild and cultivated Lavandula mairei Humbert essential oils against Tribolium castaneum and prediction of potential action mechanisms through molecular docking analysis

  • 期刊论文

  • 发表日期：

    2025年3月5日

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  • Abdellah El Hamdaoui,
  • Hicham Mechqoq,
  • Hanane Oublid,
  • Sohaib Hourfane,
  • Mohamed El Yaagoubi,
  • Noureddine El Aouad,
  • Fouad Msanda

摘要

Every year, storage pests like Tribolium castaneum cause significant post-harvest damage to crops. This pest infests stored grains and cereals, posing a considerable challenge for agriculture and the food industry. This highlights the need to find safe and environmentally friendly substitute biopesticides for pest control programs. This investigation centered on essential oils (EO) obtained via hydrodistillation from cultivated and wild Lavandula mairei, a medicinal and aromatic plant endemic to Morocco. The oils were analyzed using GC–MS and evaluated for their insecticidal activity against adult T. castaneum. The lethal concentrations (LC50 and LC90) and lethal times (LT50 and LT90) were determined through contact toxicity bioassays. The results revealed that EO from cultivated L. mairei contains mainly carvacrol (> 76%), which exhibited significant insecticidal effects on T. castaneum with LC50 values below 2 μL/cm2 and LT50 ranging from 20 to 40 h. The potential mechanism of action of carvacrol was evaluated by molecular docking to the major proteins involved in neurotoxic activity, namely acetylcholinesterase (AChE-1 and 2), GABA receptors (RDL, GRD, and LCCH3), and putative octopamine/tyramine receptor (put Oct/Tyr receptor). The docking simulations predicted favorable binding positions of carvacrol against AChE-1 and 2 (− 6.6 and − 6.2 kcal/mol, respectively). GABA-RDL and GRD (− 4.8 and − 5.4 kcal/mol, respectively) and against put Oct/Tyr receptor achieving a score of − 5.6 kcal/mol. These results indicate possible neurotoxic modulation of acetylcholinesterase, GABA, and octopamine receptors. In conclusion, the essential oils of L. mairei have significant insecticidal contact toxicity against T. castaneum and warrant further investigation as natural post-harvest crop protectants. The findings suggest that L. mairei essential oils could serve as a sustainable alternative to synthetic pesticides, offering a promising solution to the urgent problem of pest control in management in crop production and storage.