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<p>The extensive application of synthetic herbicides in modern agriculture has contributed to environmental degradation, the emergence of herbicide-resistant weed species, and potential health risks, emphasizing the necessity of sustainable weed control alternatives. Essential oils are mixtures of bioactive compounds with potential applications in agriculture as natural herbicides. In the present work, to flowers essential oil of <i>Citharexylum spinosum</i> L. was obtained by hydrodistillation and fractionated on a silica gel column chromatographic, yielding nine distinct fractions (F1-F9). Chemical analysis of each fraction was performed using gas chromatography coupled with mass spectrometry (GC/MS). The phytotoxic activity of the fractions was assessed. Fractions F4, F5, F7 and F8 demonstrated significant phytotoxic effects. Phytotoxic effects were found to be correlated with the presence of the major bioactive constituents identified in these fractions. To elucidate the potential mechanism of action, molecular docking studies were performed on the major compounds using protoporphyrinogen IX oxidase. The results confirm the use of selective essential oil components as environmentally friendly substitutes for synthetic herbicides, offering a promising approach to sustainable weed management.</p>

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Composition, Phytotoxic potential, and in silico Study of the Fractionated Essential oil from the Flowers of the Tunisian Citharexylum spinosum L

  • 期刊论文

  • 发表日期：

    2026年2月27日

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  • Asma El Ayeb-Zakhama,
  • Salma Jlizi,
  • Guido Flamini,
  • Ikbal Chaieb,
  • Hichem Ben Jannet,
  • Fethia Harzallah-Skhiri

摘要

The extensive application of synthetic herbicides in modern agriculture has contributed to environmental degradation, the emergence of herbicide-resistant weed species, and potential health risks, emphasizing the necessity of sustainable weed control alternatives. Essential oils are mixtures of bioactive compounds with potential applications in agriculture as natural herbicides. In the present work, to flowers essential oil of Citharexylum spinosum L. was obtained by hydrodistillation and fractionated on a silica gel column chromatographic, yielding nine distinct fractions (F1-F9). Chemical analysis of each fraction was performed using gas chromatography coupled with mass spectrometry (GC/MS). The phytotoxic activity of the fractions was assessed. Fractions F4, F5, F7 and F8 demonstrated significant phytotoxic effects. Phytotoxic effects were found to be correlated with the presence of the major bioactive constituents identified in these fractions. To elucidate the potential mechanism of action, molecular docking studies were performed on the major compounds using protoporphyrinogen IX oxidase. The results confirm the use of selective essential oil components as environmentally friendly substitutes for synthetic herbicides, offering a promising approach to sustainable weed management.