The unsatisfactory effects of conventional bactericides and antimicrobial resistance have increased the challenges in managing plant diseases caused by bacterial pests. Here, we report the successful design and synthesis of benzofuran derivatives using benzofuran as the core skeleton and splicing the disulfide moieties commonly seen in natural substances with antibacterial properties. Most of our developed benzofurans displayed remarkable antibacterial activities to frequently encountered pathogens, including Xanthomonas oryzae pv oryzae (Xoo), Xanthomonas oryzae pv oryzicola (Xoc), and Xanthomonas axonopodis pv citri (Xac). With the assistance of the three-dimensional quantitative constitutive relationship (3D-QSAR) model, the optimal compound V40 was obtained, which has better in vitro antibacterial activity with EC₅₀ values of 0.28, 0.56, and 10.43 μg/mL against Xoo, Xoc, and Xac, respectively, than those of positive control, TC (66.41, 78.49, and 120.36 μg/mL) and allicin (8.40, 28.22, and 88.04 μg/mL). Combining the results of proteomic analysis and enzyme activity assay allows the antibacterial mechanism of V40 to be preliminarily revealed, suggesting its potential as a versatile bactericide in combating bacterial pests in the future.

中文翻译：

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新型含二硫键苯并呋喃衍生物的设计、合成、抗菌活性及机制

传统杀菌剂的效果不理想和抗菌素耐药性增加了防治细菌性害虫引起的植物病害的挑战。在这里，我们报道了以苯并呋喃为核心骨架，拼接天然物质中常见的具有抗菌特性的二硫键部分，成功设计和合成了苯并呋喃衍生物。我们开发的大多数苯并呋喃对常见的病原体表现出显着的抗菌活性，包括米黄单胞菌pv oryzae ( Xoo )、米黄单胞菌pv oryzicola ( Xoc ) 和黄单胞菌 axonopodis pv citri ( Xac )。借助三维定量本构关系（3D-QSAR）模型，得到最优化合物V40 ，其对Xoo、Xoc具有较好的体外抗菌活性，EC ₅₀值为0.28、0.56、10.43 μg/mL。、 和Xac分别高于阳性对照、TC（66.41、78.49 和 120.36 μg/mL）和大蒜素（8.40、28.22 和 88.04 μg/mL）。结合蛋白质组分析和酶活性测定的结果，初步揭示了V40的抗菌机制，表明其作为未来防治细菌性害虫的多功能杀菌剂的潜力。