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<p>Rice (<i>Oryza sativa</i> L.), a primary food source for a substantial portion of the world’s population, faces a serious threat from bacterial leaf blight caused by <i>Xanthomonas oryzae</i> pv. <i>oryzae</i> (<i>Xoo</i>), leading to considerable yield reductions. The excessive use of synthetic pesticides not only affects soil health but also disrupts the community of organisms living in the soil. While some pesticides degrade quickly, others persist, leading to long-term environmental damage. To address these challenges, the aqueous extract of <i>Terminalia arjuna&#xa0;(T. arjuna)</i>, was investigated as a sustainable alternative for controlling <i>Xoo</i>. The extract was prepared using a Soxhlet apparatus, and its antibacterial activity was assessed via zone of inhibition assays and bacterial growth inhibition studies. The results revealed significant antibacterial activity, with inhibition zones of 9.1 ± 0.76&#xa0;mm at 25&#xa0;μg/ml, 14.16 ± 1.04&#xa0;mm at 50&#xa0;μg/ml, and 15.5 ± 1.31&#xa0;mm at 100&#xa0;μg/ml. Furthermore, the antibacterial mechanism of the <i>T.&#xa0;arjuna</i> extract was investigated using computational approaches. For this molecular docking of CbsA, LipA, T3SEs, PDF, and Ddl was conducted with the phytochemicals of <i>T.&#xa0;arjuna.</i> Further molecular dynamics simulation analysis shows <i>that</i> 3-Hydroxyspirost-8-en-11-one can inhibit Ddl and CbsA, while 9-Oximino-2,7-diethoxyfluorene and 2-Naphthalene methanol can interact with T3SEs and PDF, respectively resulting inhibition of growth of <i>Xoo</i>. These findings highlight <i>T.&#xa0;arjuna</i>'s potential as an eco-friendly, natural pesticide to combat <i>Xoo</i>, offering a sustainable solution to reduce the reliance on synthetic pesticides and their detrimental environmental impact. Further field studies are needed to confirm these results.</p>

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Evaluation of antibacterial potential of Terminalia arjuna aqueous extract against Xanthomonas oryzae and deciphering its mechanism by computational methods

  • 期刊论文

  • 发表日期：

    2025年5月13日

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  • Tushar Joshi,
  • Disha Tewari,
  • Satish Chandra Pandey,
  • Manish Tripathi,
  • Priyanka Maiti,
  • Shalini Mathpal,
  • Priyanka Sharma,
  • Mukesh Samant,
  • Subhash Chandra

摘要

Rice (Oryza sativa L.), a primary food source for a substantial portion of the world’s population, faces a serious threat from bacterial leaf blight caused by Xanthomonas oryzae pv. oryzae (Xoo), leading to considerable yield reductions. The excessive use of synthetic pesticides not only affects soil health but also disrupts the community of organisms living in the soil. While some pesticides degrade quickly, others persist, leading to long-term environmental damage. To address these challenges, the aqueous extract of Terminalia arjuna (T. arjuna), was investigated as a sustainable alternative for controlling Xoo. The extract was prepared using a Soxhlet apparatus, and its antibacterial activity was assessed via zone of inhibition assays and bacterial growth inhibition studies. The results revealed significant antibacterial activity, with inhibition zones of 9.1 ± 0.76 mm at 25 μg/ml, 14.16 ± 1.04 mm at 50 μg/ml, and 15.5 ± 1.31 mm at 100 μg/ml. Furthermore, the antibacterial mechanism of the T. arjuna extract was investigated using computational approaches. For this molecular docking of CbsA, LipA, T3SEs, PDF, and Ddl was conducted with the phytochemicals of T. arjuna. Further molecular dynamics simulation analysis shows that 3-Hydroxyspirost-8-en-11-one can inhibit Ddl and CbsA, while 9-Oximino-2,7-diethoxyfluorene and 2-Naphthalene methanol can interact with T3SEs and PDF, respectively resulting inhibition of growth of Xoo. These findings highlight T. arjuna's potential as an eco-friendly, natural pesticide to combat Xoo, offering a sustainable solution to reduce the reliance on synthetic pesticides and their detrimental environmental impact. Further field studies are needed to confirm these results.