National Key Laboratory of Green Pesticides; State Key Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering; Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Guizhou University, Guiyang, China.
Pest Manag Sci. 2023 Jul;79(7):2571-2580. doi: 10.1002/ps.7429. Epub 2023 Mar 13.
The cucumber mosaic virus (CMV) is well-known for its expansive host range and distribution, resulting in a detrimental effect on agricultural production, thus making it imperative to implement measures for its control.
Novel compounds S1-S28 were synthesized by connecting trifluoromethyl pyridine, amide and piperazine scaffolds. Bioassays indicated that most of the synthesized compounds exhibited good curative effects against CMV, with half maximal effective concentration (EC ) values of compounds S1, S2, S7, S8, S10, S11, S15, and S28 being 119.6, 168.9, 197.6, 169.1, 97.9, 73.9, 224.4, and 125.2 μg mL , respectively, which were lower than the EC of ningnanmycin (314.7 μg mL ). Compounds S5 and S8 exhibited protective activities with EC of 170.8 and 95.0 μg mL , respectively, which were lower than ningnanmycin at 171.4 μg mL . The inactivation activities of S6 and S8 at 500 μg mL were remarkably high at 66.1% and 78.3%, respectively, surpassing that of ningnanmycin (63.5%). Additionally, their EC values were more favorable at 22.2 and 18.1 μg mL , respectively, than ningnanmycin (38.4 μg mL ). And molecular docking and molecular dynamics simulation showed compound S8 had better binding with CMV-coat protein, providing a possible explanation for the anti-CMV activity of compound S8.
Compound S8 showed a strong binding affinity to CMV-coat protein and impacted the self-assemble of CMV particles. Compound S8 could be a potential lead compound for discovering a new anti-plant virus candidate. © 2023 Society of Chemical Industry.
黄瓜花叶病毒（CMV）以其广泛的宿主范围和分布而闻名，对农业生产造成了不利影响，因此必须采取措施加以控制。
通过连接三氟甲基吡啶、酰胺和哌嗪支架合成了新型化合物 S1-S28。生物测定表明，大多数合成化合物对 CMV 表现出良好的治疗效果，化合物 S1、S2、S7、S8、S10、S11、S15 和 S28 的半最大有效浓度（EC ）值分别为 119.6、168.9、197.6、169.1、97.9、73.9、224.4 和 125.2μgmL，低于宁南霉素（314.7μgmL）的 EC 值。化合物 S5 和 S8 的保护活性 EC 值分别为 170.8 和 95.0μgmL，低于宁南霉素的 171.4μgmL。S6 和 S8 在 500μgmL 时的失活活性分别高达 66.1%和 78.3%，明显高于宁南霉素（63.5%）。此外，它们的 EC 值分别为 22.2 和 18.1μgmL，优于宁南霉素（38.4μgmL）。分子对接和分子动力学模拟表明，化合物 S8 与 CMV 外壳蛋白具有更好的结合能力，为化合物 S8 的抗 CMV 活性提供了可能的解释。
化合物 S8 与 CMV 外壳蛋白具有很强的结合亲和力，并影响 CMV 粒子的自组装。化合物 S8 可能是发现新的抗植物病毒候选物的潜在先导化合物。© 2023 化学工业协会。
