含二苯乙炔片段琥珀酸脱氢酶抑制剂抗真菌药物的发现。

IF 6.2 1区 农林科学 Q1 AGRICULTURE, MULTIDISCIPLINARY
Jiamin Qian, Jiawei Qin, Sifan Guo, Xusheng Shao, Xiaoyong Xu, Wu-Lin Yang* and Zhong Li*, 
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引用次数: 0

摘要

链延伸的支架跳跃策略广泛应用于药物和农药中,许多药物都引入炔烃来增加刚性和活性。因此,在联苯结构中引入炔分子,形成含炔的二氟吡唑衍生物。大部分化合物在体外抗枯丝核菌活性试验中表现出良好的活性。化合物A1、A13、A15、A18的EC50值分别为0.0214、0.0189、0.0223、0.0173 mg/L,与氟沙吡虫胺的EC50值相近(EC50 = 0.0237 mg/L)。体内活性试验表明,化合物A12在5 mg/L浓度下仍有57.1%的抑制效果。化合物A12和A16对琥珀酸脱氢酶的抑制作用分别为3.58和2.22 μM,优于氟沙吡沙(IC50 = 4.24 μM)。通过分子对接和扫描电镜分析进一步探讨了这些化合物的作用方式,发现结果与氟沙吡沙相似。这些结果证明了在琥珀酸脱氢酶抑制剂杀菌剂中引入炔基链延伸的新概念。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Discovery of Succinate Dehydrogenase Inhibitors Containing a Diphenylacetylene Fragment as Antifungal Agents

Discovery of Succinate Dehydrogenase Inhibitors Containing a Diphenylacetylene Fragment as Antifungal Agents

The scaffold hopping strategy of chain extension is widely used in medicines and pesticides, many of which have introduced alkynes to increase rigidity and activity. Therefore, an alkyne molecule is introduced into the biphenyl structure to form alkyne-containing difluoropyrazole derivatives. Most of the compounds had excellent activity in in vitro activity tests against Rhizoctonia solani. The EC50 values of compounds A1, A13, A15, and A18 were 0.0214, 0.0189, 0.0223, and 0.0173 mg/L, respectively, which were similar to fluxapyroxad (EC50 = 0.0237 mg/L). Activity tests in vivo revealed that compound A12 still had 57.1% control against R. solani at 5 mg/L. The inhibition effects of compounds A12 and A16 against succinate dehydrogenase were 3.58 and 2.22 μM, respectively, better than fluxapyroxad (IC50 = 4.24 μM). The mode of action of these compounds was further explored by molecular docking and scanning electron microscopy analysis, and the results were found to be similar to those of fluxapyroxad. These results demonstrate a new concept of introducing alkyne-based chain extension in succinate dehydrogenase inhibitor fungicides.

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来源期刊
Journal of Agricultural and Food Chemistry
Journal of Agricultural and Food Chemistry 农林科学-农业综合
CiteScore
9.90
自引率
8.20%
发文量
1375
审稿时长
2.3 months
期刊介绍: The Journal of Agricultural and Food Chemistry publishes high-quality, cutting edge original research representing complete studies and research advances dealing with the chemistry and biochemistry of agriculture and food. The Journal also encourages papers with chemistry and/or biochemistry as a major component combined with biological/sensory/nutritional/toxicological evaluation related to agriculture and/or food.
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