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Triamcinolone Acetonide Produced by Bacillus velezensis YEBBR6 Exerts Antagonistic Activity Against Fusarium oxysporum f. sp. Cubense: A Computational Analysis

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Abstract

Fusarium oxysporum f. sp. cubense is one of the most severe and threatening pathogens of bananas, causing “Panama wilt” worldwide. Confrontation assay of Foc antagonistic bacterial endophyte, Bacillus velezensis YEBBR6, with the Foc and GC–MS profiling of excised agar from the zone of inhibition, led to the unveiling of secondary metabolites produced by the endophyte. To refine the probable antifungal compounds among the numerous biomolecules formed during their di-trophic interaction with the pathogen, fungal protein targets were modeled, and docking studies (AutoDock Vina module of the PyRx 0.8 server) were done with all the compounds. Triamcinolone acetonide exhibited the most excellent affinity for the protein targets among the compounds studied. It had a maximum binding affinity of 11.2 kcal/mol for XRN2 (5ʹ → 3ʹ). Further, the protein–ligand complex formation kinetics was done through Molecular Dynamic Simulation studies. Graphs for the RMSD, RMSF, Rg, potential energy, and SASA were generated, and the values during the simulation period suggested the stability of the biomolecule as a complex with the protein. This indicated Triamcinolone acetonide’s potential ability to act as a functional disrupter of the target protein and likely an antifungal molecule. Further, the biomolecule was tested for its activity against Foc by screening in the wet lab through the poisoned plate technique, and it was found to be fully inhibitory to the growth of the pathogen at 1000 ppm.

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Acknowledgements

This work was supported by the DBT–BTIS facility available at the Department of Plant Molecular Biology and Bioinformatics, Centre for Plant Molecular Biology and Biotechnology, Tamil Nadu Agricultural University, Coimbatore, India. The authors would like to acknowledge the support provided by Researchers Supporting Project Number RSP2023R358, King Saud University, Riyadh, Saudi Arabia. The authors acknowledge the Department of Plant Biotechnology, Department of Plant Pathology, and Department of Nanotechnology, Tamil Nadu Agricultural University, Coimbatore, India, for providing facilities.

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Authors and Affiliations

  1. Department of Plant Biotechnology, Tamil Nadu Agricultural University, Coimbatore, 641003, India

    R. U. Krishna Nayana & Suhail Ashraf

  2. Department of Plant Biotechnology, Centre for Plant Molecular Biology and Biotechnology, Tamil Nadu Agricultural University, Coimbatore, 641003, India

    S. Nakkeeran

  3. Department of Plant Molecular Biology and Bioinformatics, Centre for Plant Molecular Biology and Biotechnology, Tamil Nadu Agricultural University, Coimbatore, 641003, India

    N. Saranya

  4. Department of Plant Pathology, Tamil Nadu Agricultural University, Coimbatore, 641003, India

    R. Saravanan & K. Mahendra

  5. Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box-22452, Riyadh, 11495, Saudi Arabia

    Kahkashan Perveen & Najla A. Alshaikh

  6. Department of Microbiology, PSGVP Mandal’s, S. I. Patil Arts, G.B. Patel Science and STKV Sangh Commerce College, Shahada, 425409, India

    R. Z. Sayyed

  7. Faculty of Health and Life Sciences, INTI International University, Persiaran Perdana BBN, Putra Nilai, 71800, Nilai, Negeri Sembilan, Malaysia

    R. Z. Sayyed

  8. Zhejiang Provincial Key Laboratory for Subtropical Water Environment and Marine Biological Resources Protection, Wenzhou University, Wenzhou, 325035, China

    Pau Loke Show

  9. Department of Chemical Engineering, Khalifa University, Shakhbout Bin Sultan St - Zone 1, Abu Dhabi, United Arab Emirates

    Pau Loke Show

  10. Department of Chemical and Environmental Engineering, Faculty of Science and Engineering, University of Nottingham Malaysia, Jalan Broga, 43500, Semenyih, Selangor Darul Ehsan, Malaysia

    Pau Loke Show

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  1. R. U. Krishna Nayana
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Nayana, R.U.K., Nakkeeran, S., Saranya, N. et al. Triamcinolone Acetonide Produced by Bacillus velezensis YEBBR6 Exerts Antagonistic Activity Against Fusarium oxysporum f. sp. Cubense: A Computational Analysis. Mol Biotechnol (2023). https://doi.org/10.1007/s12033-023-00797-w

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