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

Bioorganic and Medicinal Chemistry

Volumn 15, Issue 5, 2007, Pages 2006-2015

  Xue, Chao Bin ^a,b   Zhang, Li ^b   Luo, Wan Chun ^a   Xie, Xian Ye ^a   Jiang, Lin ^a   Xiao, Ting ^a  

^a SHANDONG AGRICULTURAL UNIVERSITY   (China)

^b BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

3D QSAR; Benzaldehyde thiosemicarbazone derivatives; CoMFA; CoMSIA; Molecular docking; Phenoloxidase

Indexed keywords

BENZALDEHYDE DERIVATIVE; BENZOIC ACID DERIVATIVE; INSECTICIDE; LEVODOPA; MONOPHENOL MONOOXYGENASE; PHENOL DERIVATIVE; QUINONE DERIVATIVE; THIOSEMICARBAZONE DERIVATIVE; TYROSINE;

ANALYTIC METHOD; ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; ENZYME INHIBITION; ENZYME MECHANISM; HYDROXYLATION; IC 50; INSECT DEVELOPMENT; LARVA; LEPIDOPTERA; LIGAND BINDING; MOLECULAR MODEL; NONHUMAN; OXIDATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BENZALDEHYDES; BENZOIC ACID; ENZYME INHIBITORS; HYDROGEN BONDING; MODELS, MOLECULAR; MONOPHENOL MONOOXYGENASE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THIOSEMICARBAZONES;

HEXAPODA; LEPIDOPTERA; PIERIS RAPAE;

EID: 33846648506     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2006.12.038     Document Type: Article

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