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Structure-Based Discovery of Potential Fungicides as Succinate Ubiquinone Oxidoreductase Inhibitors

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成果类型:
期刊论文
作者:
Xiong, Li;Li, Hua;Jiang, Li-Na;Ge, Jing-Ming;Yang, Wen-Chao;...
通讯作者:
Zhu, Xiao Lei;Yang, Guang-Fu
作者机构:
[Yang, Guang-Fu; Li, Hua; Xiong, Li; Ge, Jing-Ming; Yang, Wen-Chao; Jiang, Li-Na; Zhu, Xiao Lei; Yang, GF] Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
[Yang, Guang-Fu] Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300071, Peoples R China.
通讯机构:
[Zhu, XL; Yang, GF; Yang, Guang-Fu] C
Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300071, Peoples R China.
语种:
英文
关键词:
Ethers;Fungicides;Hydrophobicity;Scaffolds;complex II;Diphenyl ether;Molecular docking;Oxidoreductases;Structure activity relationships;Plants (botany);enzyme inhibitor;fungal protein;fungicide;pyrazole derivative;succinate dehydrogenase (ubiquinone);antagonists and inhibitors;Ascomycetes;chemistry;drug effects;enzymology;genetics;kinetics;metabolism;Rhizoctonia;structure activity relation;Ascomycota;Electron Transport Complex II;Enzyme Inhibitors;Fungal Proteins;Fungicides, Industrial;Kinetics;Pyrazoles;Rhizoctonia;Structure-Activity Relationship
期刊:
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
ISSN:
0021-8561
年:
2017
卷:
65
期:
5
页码:
1021-1029
基金类别:
National Key Technologies RD ProgramNational Key Technology R&D Program [2014BAD23B00]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21332004, 21272092]
机构署名:
本校为第一且通讯机构
院系归属:
化学学院
摘要:
A series of diphenyl ether-containing pyrazole-carboxamide derivatives was designed and synthesized as new succinate ubiquinone oxidoreductase (SQR) inhibitors. This highly potent molecular scaffold was developed from a moderately activie hit 3, obtained from our previous pharmacophore-linked fragment virtual screening (PFVS) method. The results of greenhouse tests indicated that some analogues showed good SQR inhibitory activity, with promising fungicidal activity against Rhizoctonia solani and Sphaerotheca fuliginea at a dosage of 200 mg/L. Most surprisingly, compound 62 showed the highest S...

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