Fei-Yu Wang, Dan Xu, Hong-Wei He, Guo-Tai Lin, Huan Zhou, Xili Liu and Gong Xu*,
{"title":"具有酰肼基团的α-亚甲基-γ-丁内酯衍生物的发现","authors":"Fei-Yu Wang, Dan Xu, Hong-Wei He, Guo-Tai Lin, Huan Zhou, Xili Liu and Gong Xu*, ","doi":"10.1021/acs.jafc.4c1100510.1021/acs.jafc.4c11005","DOIUrl":null,"url":null,"abstract":"<p >To discover novel fungicides with unique structures, a series of α-methylene-γ-butyrolactone derivatives were designed and synthesized by incorporating a flexible amide or hydrazide chain through active substructure splicing and linker modification strategies. Bioassay assessments demonstrated that certain hydrazide-containing compounds have potent fungicidal efficacy. Notably, compound <b>7IIj</b> exhibited broad-spectrum antifungal activity, with EC<sub>50</sub> values as low as 0.179, 0.301, 0.647, 0.549, and 0.789 mg/L against <i>Rhizoctonia solani</i>, <i>Physalospora piricola</i>, <i>Botrytis cinerea, Gaeumanomyces graminis</i>, and <i>Valsa mali</i>, respectively. <i>In vivo</i> experiments confirmed the effective fungicidal activity of compound <b>7IIj</b>, showing an inhibitory rate of 69.7% against <i>V. mali</i> on apple twigs at 200 mg/L. Additionally, at a concentration of 100 mg/L, compound <b>7IIj</b> demonstrated significant protective and curative effects against <i>R. solani</i> on rice plants. Research on the mechanism of action revealed that compound <b>7IIj</b> could disrupt hyphal morphology, induce reactive oxygen species (ROS) accumulation, affect mitochondrial membrane potential (MMP), and interfere with respiratory metabolism by binding to complex II. Molecular docking analysis showed significant interactions of compound <b>7IIj</b> with TRP 173, TYR 58, and ARG 43 in the succinate dehydrogenase (SDH) binding site, resembling the binding mode of <b>fluxapyroxad</b>. These findings suggest that compound <b>7IIj</b> holds potential as an SDH inhibitor for agricultural disease control.</p>","PeriodicalId":41,"journal":{"name":"Journal of Agricultural and Food Chemistry","volume":"73 16","pages":"9521–9532 9521–9532"},"PeriodicalIF":6.2000,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Discovery of α-Methylene-γ-Butyrolactone Derivatives with Hydrazide Moieties as Novel Fungicidal Agents\",\"authors\":\"Fei-Yu Wang, Dan Xu, Hong-Wei He, Guo-Tai Lin, Huan Zhou, Xili Liu and Gong Xu*, \",\"doi\":\"10.1021/acs.jafc.4c1100510.1021/acs.jafc.4c11005\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >To discover novel fungicides with unique structures, a series of α-methylene-γ-butyrolactone derivatives were designed and synthesized by incorporating a flexible amide or hydrazide chain through active substructure splicing and linker modification strategies. Bioassay assessments demonstrated that certain hydrazide-containing compounds have potent fungicidal efficacy. Notably, compound <b>7IIj</b> exhibited broad-spectrum antifungal activity, with EC<sub>50</sub> values as low as 0.179, 0.301, 0.647, 0.549, and 0.789 mg/L against <i>Rhizoctonia solani</i>, <i>Physalospora piricola</i>, <i>Botrytis cinerea, Gaeumanomyces graminis</i>, and <i>Valsa mali</i>, respectively. <i>In vivo</i> experiments confirmed the effective fungicidal activity of compound <b>7IIj</b>, showing an inhibitory rate of 69.7% against <i>V. mali</i> on apple twigs at 200 mg/L. Additionally, at a concentration of 100 mg/L, compound <b>7IIj</b> demonstrated significant protective and curative effects against <i>R. solani</i> on rice plants. Research on the mechanism of action revealed that compound <b>7IIj</b> could disrupt hyphal morphology, induce reactive oxygen species (ROS) accumulation, affect mitochondrial membrane potential (MMP), and interfere with respiratory metabolism by binding to complex II. Molecular docking analysis showed significant interactions of compound <b>7IIj</b> with TRP 173, TYR 58, and ARG 43 in the succinate dehydrogenase (SDH) binding site, resembling the binding mode of <b>fluxapyroxad</b>. These findings suggest that compound <b>7IIj</b> holds potential as an SDH inhibitor for agricultural disease control.</p>\",\"PeriodicalId\":41,\"journal\":{\"name\":\"Journal of Agricultural and Food Chemistry\",\"volume\":\"73 16\",\"pages\":\"9521–9532 9521–9532\"},\"PeriodicalIF\":6.2000,\"publicationDate\":\"2025-04-10\",\"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.4c11005\",\"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.4c11005","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 α-Methylene-γ-Butyrolactone Derivatives with Hydrazide Moieties as Novel Fungicidal Agents
To discover novel fungicides with unique structures, a series of α-methylene-γ-butyrolactone derivatives were designed and synthesized by incorporating a flexible amide or hydrazide chain through active substructure splicing and linker modification strategies. Bioassay assessments demonstrated that certain hydrazide-containing compounds have potent fungicidal efficacy. Notably, compound 7IIj exhibited broad-spectrum antifungal activity, with EC50 values as low as 0.179, 0.301, 0.647, 0.549, and 0.789 mg/L against Rhizoctonia solani, Physalospora piricola, Botrytis cinerea, Gaeumanomyces graminis, and Valsa mali, respectively. In vivo experiments confirmed the effective fungicidal activity of compound 7IIj, showing an inhibitory rate of 69.7% against V. mali on apple twigs at 200 mg/L. Additionally, at a concentration of 100 mg/L, compound 7IIj demonstrated significant protective and curative effects against R. solani on rice plants. Research on the mechanism of action revealed that compound 7IIj could disrupt hyphal morphology, induce reactive oxygen species (ROS) accumulation, affect mitochondrial membrane potential (MMP), and interfere with respiratory metabolism by binding to complex II. Molecular docking analysis showed significant interactions of compound 7IIj with TRP 173, TYR 58, and ARG 43 in the succinate dehydrogenase (SDH) binding site, resembling the binding mode of fluxapyroxad. These findings suggest that compound 7IIj holds potential as an SDH inhibitor for agricultural disease control.
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.