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3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors

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成果类型:
期刊论文
作者:
Xue, Chao-Bin;Zhang, Li;Luo, Wan-Chun*;Xie, Xian-Ye;Jiang, Lin;...
通讯作者:
Luo, Wan-Chun
作者机构:
[Luo, Wan-Chun] Shandong Agr Univ, Coll Plant Protect, Key Lab Pesticide Toxicol & Appl Tech, Shandong 271018, Peoples R China.
Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
Shandong Agr Univ, Coll Chem & Mat Sci, Shandong 271018, Peoples R China.
通讯机构:
[Luo, Wan-Chun] S
Shandong Agr Univ, Coll Plant Protect, Key Lab Pesticide Toxicol & Appl Tech, Shandong 271018, Peoples R China.
语种:
英文
关键词:
3D-QSAR;Benzaldehyde thiosemicarbazone derivatives;CoMFA;CoMSIA;Molecular docking;Phenoloxidase
期刊:
Bioorganic & Medicinal Chemistry
ISSN:
0968-0896
年:
2007
卷:
15
期:
5
页码:
2006-2015
基金类别:
The present investigation was financially supported by the National Natural Science Foundation of PR China (Grant No. 30571237) for Wan-Chun LUO.
机构署名:
本校为其他机构
院系归属:
化学学院
摘要:
Phenoloxidase (PO), also known as tyrosinase, is a key enzyme in insect development, responsible for catalyzing the hydroxylation of tyrosine into o-diphenols and the oxidation of o-diphenols into o-quinones. Inhibition of PO may provide a basis for novel environmentally friendly insecticides. In the present study, we determined the inhibitory activities and IC50 values of 57 compounds belonging to the benzaldehyde thiosemicarbazone, benzaldehyde, and benzoic acid families against phenoloxidase from Pieris rapae (Lepidoptera) larvae. In additio...

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