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<p>Chalcones are known for their broad biological activities, which can be enhanced by incorporating heterocyclic moieties. Imidazole, recognized for its diverse properties, was introduced into a series of imidazolylchalcone derivatives (3a–3o) synthesized via Claisen-Schmidt condensation of benzaldehydes (2a–2o) and 4-(Imidazol-1-yl) acetophenone (1a) using ultrasonication as a green method. These compounds were characterized by spectroscopic techniques such as 1H-NMR, 13C-NMR, LC-HRMS and evaluated for fungicidal and nematicidal activity. Compound 3&#xa0;h showed highest fungicidal activity against <i>Rhizoctonia solani</i> (ED₅₀ = 0.69&#xa0;μg/mL), outperforming commercial hexaconazole (ED₅₀ = 3.57&#xa0;μg/mL). Compound 3d exhibited the highest activity against <i>Fusarium oxysporum</i> (ED₅₀ = 119.22&#xa0;μg/mL), while 3f was most effective against <i>Meloidogyne incognita</i> (LC₅₀ = 33.62&#xa0;μg/mL), though less active than commercial Velum Prime (LC₅₀ = 3.46&#xa0;μg/mL). The compounds potential activity may results from interactions of electronegative atom with enzyme active sites via hydrogen bonding. Docking studies against fungal cutinase and nematode acetylcholinesterase supported the in-vitro findings. Promising compounds will undergo further in-vivo and field trials for antifungal and antinemic applications and developed a potent molecule.</p> Graphical Abstract <p></p>

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Green synthesis, characterization, in silico molecular docking and biological evaluation of imidazolylchalcones as promising fungicide/s and nematicide/s

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年4月29日

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  • Rakesh Kumar,
  • Parshant Kaushik,
  • Kailashpati Tripathi,
  • Rajni Godara,
  • Sameer Ranjan Misra,
  • Vijay Kumar,
  • Partha Chandra Mondal,
  • Jeetram,
  • Pankaj,
  • Virendra Singh Rana,
  • V. Shanmugam,
  • Dilip Khatri,
  • Najam Akhtar Shakil

摘要

Chalcones are known for their broad biological activities, which can be enhanced by incorporating heterocyclic moieties. Imidazole, recognized for its diverse properties, was introduced into a series of imidazolylchalcone derivatives (3a–3o) synthesized via Claisen-Schmidt condensation of benzaldehydes (2a–2o) and 4-(Imidazol-1-yl) acetophenone (1a) using ultrasonication as a green method. These compounds were characterized by spectroscopic techniques such as 1H-NMR, 13C-NMR, LC-HRMS and evaluated for fungicidal and nematicidal activity. Compound 3 h showed highest fungicidal activity against Rhizoctonia solani (ED₅₀ = 0.69 μg/mL), outperforming commercial hexaconazole (ED₅₀ = 3.57 μg/mL). Compound 3d exhibited the highest activity against Fusarium oxysporum (ED₅₀ = 119.22 μg/mL), while 3f was most effective against Meloidogyne incognita (LC₅₀ = 33.62 μg/mL), though less active than commercial Velum Prime (LC₅₀ = 3.46 μg/mL). The compounds potential activity may results from interactions of electronegative atom with enzyme active sites via hydrogen bonding. Docking studies against fungal cutinase and nematode acetylcholinesterase supported the in-vitro findings. Promising compounds will undergo further in-vivo and field trials for antifungal and antinemic applications and developed a potent molecule.

Graphical Abstract