丁香酚酯衍生物:合成、杀虫活性及计算研究

ECSOC-25 Pub Date : 2021-11-14 DOI:10.3390/ecsoc-25-11787
J. Coelho, Tatiana F. Vieira, R. Pereira, David M. Pereira, E. M. Castanheira, A. Fortes, S. Sousa, M. J. Fernandes, M. Gonçalves
{"title":"丁香酚酯衍生物:合成、杀虫活性及计算研究","authors":"J. Coelho, Tatiana F. Vieira, R. Pereira, David M. Pereira, E. M. Castanheira, A. Fortes, S. Sousa, M. J. Fernandes, M. Gonçalves","doi":"10.3390/ecsoc-25-11787","DOIUrl":null,"url":null,"abstract":": Specific structural modifications in eugenol molecule can simultaneously improve the biological activity and reduce side effects of the respective analogues. The esterification of eugenol by two different experimental procedures, and subsequently conversion of one of the esters into the corresponding oxirane was carried out. All derivatives obtained were then evaluated for their effect on the viability of Sf9 ( Spodoptera frugiperda ), cells. In addition, a structured-based inverted virtual screening protocol was employed to identify the potential proteins associated to the observed insecticidal activity. The encouraging results obtained allowed to establish a preliminary structure-activity relationship.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Eugenol Ester Derivatives: Synthesis, Insecticidal Activity and Computational Studies\",\"authors\":\"J. Coelho, Tatiana F. Vieira, R. Pereira, David M. Pereira, E. M. Castanheira, A. Fortes, S. Sousa, M. J. Fernandes, M. Gonçalves\",\"doi\":\"10.3390/ecsoc-25-11787\",\"DOIUrl\":null,\"url\":null,\"abstract\":\": Specific structural modifications in eugenol molecule can simultaneously improve the biological activity and reduce side effects of the respective analogues. The esterification of eugenol by two different experimental procedures, and subsequently conversion of one of the esters into the corresponding oxirane was carried out. All derivatives obtained were then evaluated for their effect on the viability of Sf9 ( Spodoptera frugiperda ), cells. In addition, a structured-based inverted virtual screening protocol was employed to identify the potential proteins associated to the observed insecticidal activity. The encouraging results obtained allowed to establish a preliminary structure-activity relationship.\",\"PeriodicalId\":11441,\"journal\":{\"name\":\"ECSOC-25\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2021-11-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ECSOC-25\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.3390/ecsoc-25-11787\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ECSOC-25","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3390/ecsoc-25-11787","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 1

摘要

丁香酚分子的特定结构修饰可以同时提高生物活性并减少相应类似物的副作用。通过两种不同的实验方法进行了丁香酚的酯化反应,并随后将其中一种酯转化为相应的氧环烷。然后评估获得的所有衍生物对Sf9 (Spodoptera frugiperda)细胞活力的影响。此外,采用基于结构的反向虚拟筛选方案来鉴定与所观察到的杀虫活性相关的潜在蛋白质。获得的令人鼓舞的结果允许建立初步的构效关系。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Eugenol Ester Derivatives: Synthesis, Insecticidal Activity and Computational Studies
: Specific structural modifications in eugenol molecule can simultaneously improve the biological activity and reduce side effects of the respective analogues. The esterification of eugenol by two different experimental procedures, and subsequently conversion of one of the esters into the corresponding oxirane was carried out. All derivatives obtained were then evaluated for their effect on the viability of Sf9 ( Spodoptera frugiperda ), cells. In addition, a structured-based inverted virtual screening protocol was employed to identify the potential proteins associated to the observed insecticidal activity. The encouraging results obtained allowed to establish a preliminary structure-activity relationship.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
期刊最新文献
American social media on the Russia-Ukraine war: A multimodal analysis Digital discourse in the realm of related phenomena Strategies of criticism and disapproval in the academic administrative discourse Emotive lexicon of the political narrative: Ukraine and the West in Chinese media Multimodal imagery in picture books for children
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1