(+)-Nootkatone类衍生物的结构多样性导向合成、杀虫/杀螨活性及3D-QSAR研究

批准号:
32001926
项目类别:
青年科学基金项目
资助金额:
24.0 万元
负责人:
杨瑞阁
依托单位:
学科分类:
植物化学保护
结题年份:
2023
批准年份:
2020
项目状态:
已结题
项目参与者:
杨瑞阁
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中文摘要
绿色农药是应对农作物病虫害的重要手段,以天然活性物质进行结构优化研发高效低毒农药是绿色农药的重要创制途径之一。前期发现(+)-Nootkatone具有较好的杀虫活性,在其异丙烯基侧链引入异噁唑啉环后,部分衍生物对东方粘虫和小菜蛾的杀虫活性远高于母体和川楝素。为此,本项目拟选天然活性物质(+)-Nootkatone为先导,利用分子杂化和生物电子等排等合成策略,对其A环C-1,2,3位和异丙烯基侧链进行结构优化,结构多样性导向合成12系列约300个新颖的(+)-Nootkatone类衍生物;通过测定衍生物的杀虫/杀螨活性和细胞毒性,筛选出高效低毒的(+)-Nootkatone类衍生物;结合活性结果进行3D-QSAR研究,构建出该类衍生物杀虫/杀螨活性的理想3D-QSAR模型。本研究将进一步丰富具有杀虫/杀螨活性的天然类化合物库,同时为创制该类天然产物的新型杀虫/杀螨剂奠定一定工作基础。
英文摘要
Green pesticide is an important approach to deal with crop diseases and insect pests, and using natural products for structural optimization to develop pesticides with high efficiency and low toxicity, has recently been one of the important approaches for development of novel green pesticides. Previously, we found that (+)-Nootkatone showed good insecticidal activities, and then introduced isoxazoline ring on its isoproprenyl side chain. The results showed that some (+)-Nootkatone derivatives exhibited more potent insecticidal activities against Mythimna separata Walker and Plutella xylostella Linnaeus than precursor and toosendanin. In this subject, the natural product (+)-Nootkatone is used as the lead compound, and twelve series of about 300 novel diverse (+)-Nootkatone derivatives will be synthesized by modifying its C-1,2,3 position of A ring and isoproprenyl side chain via methods of molecular hybridization and bioisosterism. The target compounds will be subjected to assess their insecticidal and acaricidal activities, and then the more potent derivatives will be evaluated for their cytotoxicity in vitro to obtain the high efficiency and low toxicity (+)-Nootkatone derivatives. Furthermore, the quantitative structure-activity relationship will be investigated based on the results of pesticidal activities, which aims to construct the desired 3D-QSAR model. This work will further enrich the library of natural pesticidal compounds, and lay the foundation for the development of (+)-Nootkatone derivatives as novel green pesticidal agents.
期刊论文列表
专著列表
科研奖励列表
会议论文列表
专利列表
DOI:10.1016/j.indcrop.2021.114490
发表时间:2022-01-03
期刊:INDUSTRIAL CROPS AND PRODUCTS
影响因子:5.9
作者:Fan, Jiangping;Liu, Zhiyan;Guo, Yong
通讯作者:Guo, Yong
DOI:10.1021/acs.jafc.2c06558
发表时间:2022-12-12
期刊:JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
影响因子:6.1
作者:Yang,Ruige;Liu,Zhiyan;Guo,Yong
通讯作者:Guo,Yong
DOI:10.1021/acs.jafc.2c01925
发表时间:2022-06-22
期刊:JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
影响因子:6.1
作者:Liu, Zhiyan;Han, Meiyue;Guo, Yong
通讯作者:Guo, Yong
DOI:10.1021/acs.jafc.1c05853
发表时间:2021-12
期刊:Journal of agricultural and food chemistry
影响因子:6.1
作者:Ruige Yang;Meiyue Han;J. Fan;Wanqing Cheng;Nannan Ma;Xiaoting Yan;Yong Guo
通讯作者:Ruige Yang;Meiyue Han;J. Fan;Wanqing Cheng;Nannan Ma;Xiaoting Yan;Yong Guo
DOI:10.1021/acsinfecdis.3c00647
发表时间:2024
期刊:ACS Infectious Diseases
影响因子:5.3
作者:Hang Liu;Ting Xu;Zihan Xue;Meijuan Huang;Tingting Wang;Miaomiao Zhang;Ruige Yang;Yong Guo
通讯作者:Yong Guo
国内基金
海外基金
