文献类型：期刊文献

英文题名：Design, synthesis, and biological activity of heterocyclic methyl esters

作者：Yuan, Qinglong[1];Zhang, Yongchao[1];Du, Shaoqing[2];Fu, Wen[1];Xu, Zhiping[1];Cheng, Jiagao[1];Li, Zhong[1];Shao, Xusheng[1,3,4,5,6]

机构：[1]East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab Chem Biol, Shanghai, Peoples R China;[2]Shandong Univ, Cheeloo Coll Med, Sch Pharmaceut Sci,Minist Educ, Dept Med Chem,Key Lab Chem Biol, Jinan, Peoples R China;[3]East China Univ Sci & Technol, State Key Lab Bioreactor Engn, Shanghai, Peoples R China;[4]East China Univ Sci & Technol, Sch Pharm, Shanghai Frontier Sci Res Base Optogenet Tech Cell, Shanghai, Peoples R China;[5]East China Univ Sci & Technol, Engn Res Ctr Pharmaceut Proc Chem, Sch Pharm, Minist Educ, Shanghai, Peoples R China;[6]East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab Chem Biol, Shanghai 200237, Peoples R China

年份：2023

卷号：60

期号：5

起止页码：781

外文期刊名：JOURNAL OF HETEROCYCLIC CHEMISTRY

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000922791800001)】；

基金：ACKNOWLEDGMENTS This work was financially supported by the National Natural Science Foundation of China (No. 21877039 and 32072441), the Innovation Program of Shanghai Municipal Education Commission (2017-01-07-00-02-E00037), and the Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism (Shanghai Municipal Education Commission).

语种：英文

摘要：Diverse molecular fragments have generally facilitated the development of drug discovery. Heterocyclic moieties could be found in most active ingredients, especially in chemical pesticides. Based on our previously reported 3,3,3-Benzyl trifluoropropionate compounds which are of excellent insecticidal and fungicidal activity, we designed and synthesized 13 Heterocyclic Methyl Ester (HME) compounds, HME01-HME13, comprising heterocyclic parts. Four insect species and four plant pathogens were employed in biological activities. The bioactivity assay results showed that compound HME12 exhibited certain insecticidal activity and fungicidal activity. The structure-activity relationship was preliminarily evaluated and further analyzed by density functional theory. The results might be meaningful for directing the development of such esters. Moreover, compound HME12 could be continuously studied as a precursor.