Synthesis,nematicidal activity and docking study of novel chromone derivatives containing substituted pyrazole |
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Authors: | Wei Li Jiuhui Li Hongfeng Shen Jiagao Cheng Zhong Li Xiaoyong Xu |
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Affiliation: | a Shanghai Key Laboratory of Chemical Biology, School of Pharmacy, East China University of Science and Technology, Shanghai 200237, China;b Shanghai Collaborative Innovation Center for Biomanufacturing Technology, Shanghai 200237, China |
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Abstract: | A series of chromone derivatives containing substituted pyrazole were designed and synthesized. Preliminary bioassays showed that most of the synthesized compounds exhibited good nematicidal activity in vivo against Meloidogyne incognita at 10 mg/L. Among the tested compounds, A10 and A11 exhibited 100% inhibition rates. In addition, the molecular docking results indicated that both compound A10 and A11 interacts with amino acid residue Tyr121, Trp279, Tyr70, Trp84 and Phe330 of AChE via hydrogen bond and π–π stacking. This investigation suggested that the chromone containing substituted pyrazole scaffold could be further optimized to explore novel, high-bioactivity nematicidal leads. |
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Keywords: | Chromone Substituted pyrazole Nematicidal activity Molecular docking |
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