FigsharePub Date : 2023-01-04DOI: 10.1021/acs.jafc.2c07035.s001
Biaobiao Jiang (8917493), Di Feng (101873), Fangyi Li (1566442), Yuqin Luo (7371020), Siqi He (5672867), Yawen Dong (4674559), Deyu Hu (162312)
{"title":"Design, Synthesis,nand Insecticidal Activity of NovelnIsoxazoline Compounds That Contain <i>Meta</i>-diamidesnagainst Fall Armyworm (Spodoptera frugiperda)","authors":"Biaobiao Jiang (8917493), Di Feng (101873), Fangyi Li (1566442), Yuqin Luo (7371020), Siqi He (5672867), Yawen Dong (4674559), Deyu Hu (162312)","doi":"10.1021/acs.jafc.2c07035.s001","DOIUrl":"https://doi.org/10.1021/acs.jafc.2c07035.s001","url":null,"abstract":"Fall armyworm (Spodopteranfrugiperda) is a major migratory pest around the entirenworld that causes severendamage to agriculture. We designed and synthesized a series of novelnisoxazoline derivatives based on the previously discovered activencompound <b>H13</b> to find new and effective candidates against S. frugiperda. Most of them showed excellent insecticidalnactivity. In addition, a three-dimensional quantitative structure–activitynrelationship model was established, and compound <b>F32</b> wasndesigned and synthesized based on the results. The bioassay resultnshowed that compound <b>F32</b> exhibited excellent activitynagainst S. frugiperda (LC<sub>50</sub> = 3.46 mg/L), which was substantially better than that of the positivencontrol fipronil (LC<sub>50</sub> = 78.8 mg/L). Furthermore, an insectnγ-aminobutyric acid (GABA) enzyme-linked immunosorbent assaynindicated that <b>F32</b> can upregulate the content of GABAnin insects in a manner similar to that of fipronil. Molecular dockingnshowed that the hydrophobic effect and hydrogen-bond interactionsnare vital factors between the binding of <b>F32</b> and receptors.nAll of these results suggest that compound <b>F32</b> couldnbe employed as a novel isoxazoline lead compound to control S. frugiperda.","PeriodicalId":522190,"journal":{"name":"Figshare","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-01-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147893176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}