{"title":"含二苯乙炔片段琥珀酸脱氢酶抑制剂抗真菌药物的发现。","authors":"Jiamin Qian, Jiawei Qin, Sifan Guo, Xusheng Shao, Xiaoyong Xu, Wu-Lin Yang* and Zhong Li*, ","doi":"10.1021/acs.jafc.5c02936","DOIUrl":null,"url":null,"abstract":"<p >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 <i>in vitro</i> activity tests against <i>Rhizoctonia solani</i>. The EC<sub>50</sub> values of compounds <b>A1</b>, <b>A13</b>, <b>A15</b>, and <b>A18</b> were 0.0214, 0.0189, 0.0223, and 0.0173 mg/L, respectively, which were similar to fluxapyroxad (EC<sub>50</sub> = 0.0237 mg/L). Activity tests <i>in vivo</i> revealed that compound <b>A12</b> still had 57.1% control against <i>R. solani</i> at 5 mg/L. The inhibition effects of compounds <b>A12</b> and <b>A16</b> against succinate dehydrogenase were 3.58 and 2.22 μM, respectively, better than fluxapyroxad (IC<sub>50</sub> = 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.</p>","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"73 32","pages":"19983–19992"},"PeriodicalIF":6.2000,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Discovery of Succinate Dehydrogenase Inhibitors Containing a Diphenylacetylene Fragment as Antifungal Agents\",\"authors\":\"Jiamin Qian, Jiawei Qin, Sifan Guo, Xusheng Shao, Xiaoyong Xu, Wu-Lin Yang* and Zhong Li*, \",\"doi\":\"10.1021/acs.jafc.5c02936\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >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 <i>in vitro</i> activity tests against <i>Rhizoctonia solani</i>. The EC<sub>50</sub> values of compounds <b>A1</b>, <b>A13</b>, <b>A15</b>, and <b>A18</b> were 0.0214, 0.0189, 0.0223, and 0.0173 mg/L, respectively, which were similar to fluxapyroxad (EC<sub>50</sub> = 0.0237 mg/L). Activity tests <i>in vivo</i> revealed that compound <b>A12</b> still had 57.1% control against <i>R. solani</i> at 5 mg/L. The inhibition effects of compounds <b>A12</b> and <b>A16</b> against succinate dehydrogenase were 3.58 and 2.22 μM, respectively, better than fluxapyroxad (IC<sub>50</sub> = 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.</p>\",\"PeriodicalId\":41,\"journal\":{\"name\":\"Journal of Agricultural and Food Chemistry\",\"volume\":\"73 32\",\"pages\":\"19983–19992\"},\"PeriodicalIF\":6.2000,\"publicationDate\":\"2025-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Agricultural and Food Chemistry\",\"FirstCategoryId\":\"97\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jafc.5c02936\",\"RegionNum\":1,\"RegionCategory\":\"农林科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"AGRICULTURE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Agricultural and Food Chemistry","FirstCategoryId":"97","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jafc.5c02936","RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"AGRICULTURE, MULTIDISCIPLINARY","Score":null,"Total":0}
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.
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.