文献类型： 外文期刊

作者： Khattak, Arif Ali ¹ ; Qian, Jiahui ¹ ; Xu, Lihui ² ; Tomah, Ali Athafah ¹ ; Ibrahim, Ezzeldin ¹ ; Khan, Muhammad Zafar Irshad ⁵ ; Ahmed, Temoor ¹ ; Hatamleh, Ashraf Atef ⁷ ; Al-Dosary, Munirah Abdullah ⁷ ; Ali, Hayssam M. ⁷ ; Li, Bin ¹ ;

作者机构： 1.Zhejiang Univ, Inst Biotechnol, State Key Lab Rice Biol & Breeding, Key Lab Mol Biol Crop Pathogens & Insects, Hangzhou, Peoples R China

2.Shanghai Acad Agr Sci, Inst Ecoenvironm Protect, Shanghai, Peoples R China

3.Univ Misan, Coll Agr, Plant Protect, Al Amarah, Iraq

4.Agr Res Ctr, Plant Pathol Res Inst, Dept Vegetable Dis Res, Giza, Egypt

5.Zhejiang Univ, Coll Pharmaceut Sci, Hangzhou, Zhejiang, Peoples R China

6.Xianghu Lab, Hangzhou, Peoples R China

7.King Saud Univ, Coll Sci, Dept Bot & Microbiol, Riyadh, Saudi Arabia

关键词： A. oryzae; bacterial brown stripe; protein-protein interaction; molecular docking; Enfumafungin; minimum inhibitory concentration

期刊名称：FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY （ 影响因子：5.7； 五年影响因子：5.9 ）

ISSN： 2235-2988

年卷期： 2023 年 13 卷

页码：

收录情况： SCI

摘要： Bacterial brown stripe disease caused by Acidovorax oryzae is a major threat to crop yields, and the current reliance on pesticides for control is unsustainable due to environmental pollution and resistance. To address this, bacterial-based ligands have been explored as a potential treatment solution. In this study, we developed a protein-protein interaction (PPI) network for A. oryzae by utilizing shared differentially expressed genes (DEGs) and the STRING database. Using a maximal clique centrality (MCC) approach through CytoHubba and Network Analyzer, we identified hub genes within the PPI network. We then analyzed the genomic data of the top 10 proteins, and further narrowed them down to 2 proteins by utilizing betweenness, closeness, degree, and eigenvector studies. Finally, we used molecular docking to screen 100 compounds against the final two proteins (guaA and metG), and Enfumafungin was selected as a potential treatment for bacterial resistance caused by A. oryzae based on their binding affinity and interaction energy. Our approach demonstrates the potential of utilizing bioinformatics and molecular docking to identify novel drug candidates for precision treatment of bacterial brown stripe disease caused by A. oryzae, paving the way for more targeted and sustainable control strategies. The efficacy of Enfumafungin in inhibiting the growth of A. oryzae strain RS-1 was investigated through both computational and wet lab methods. The models of the protein were built using the Swiss model, and their accuracy was confirmed via a Ramachandran plot. Additionally, Enfumafungin demonstrated potent inhibitory action against the bacterial strain, with an MIC of 100 mu g/mL, reducing OD600 values by up to 91%. The effectiveness of Enfumafungin was further evidenced through agar well diffusion assays, which exhibited the highest zone of inhibition at 1.42 cm when the concentration of Enfumafungin was at 100 mu g/mL. Moreover, Enfumafungin was also able to effectively reduce the biofilm of A. oryzae RS-1 in a concentration-dependent manner. The swarming motility of A. oryzae RS-1 was also found to be significantly inhibited by Enfumafungin. Further validation through TEM observation revealed that bacterial cells exposed to Enfumafungin displayed mostly red fluorescence, indicating destruction of the bacterial cell membrane.