Synthesis, Evaluation of Anti-Toxoplasma gondii Activity in vitro and Molecular Docking of Dihydroartemisinin Derivatives

被引:0
|
作者
Hao Deng
Zheng-Ai Chen
Yin-Sheng Quan
Qing-Kun Shen
Zhe-Shan Quan
机构
[1] Yanbian University,College of Pharmacy
[2] Yanbian University,College of Medicine
来源
Pharmaceutical Chemistry Journal | 2022年 / 55卷
关键词
dihydroartemisinin derivatives; anti-; activity; molecular docking;
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学科分类号
摘要
In this work, 21 dihydroartemisinin derivatives were synthesized, their chemical structures were characterized by 1H NMR, 13H NMR and high-resolution MS techniques, and anti-Toxoplasma gondii activity in vitro was evaluated using thiazole blue (MTT) assay. The selectivity index of compound (3R,5aS,6R,8aS,9R,12R,12aR)-3,6,9-trime-thyldeca-hydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl 4-oxo-4-(pyridin-4-ylamino)butanoate (E2) was 2.24, which showed the strongest anti-T. gondii activity. In addition, the results of molecular docking studies show that E2 can be a better inhibitor of T. gondii calcium-dependent protein kinase 1 (TgCDPK1). Therefore, compound E2 has good potential as a drug for T. gondii treatment, and further research is needed to clarify its mechanism of action.
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页码:1006 / 1014
页数:8
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