DFT-based de novo QSAR of phenoloxidase inhibitors

Chemical Biology and Drug Design

Volumn 71, Issue 5, 2008, Pages 483-493

  Pasha, Farhan Ahmad ^a   Muddassar, Muhhammad ^a   Beg, Yakub ^b   Cho, Seung Joo ^a,c  

^a Korea Institute of Science and Technology   (South Korea)

^b BAREILLY COLLEGE   (India)

^c Chosun University   (South Korea)

Author keywords

3D QSAR; CoMFA; CoMSIA; DFT; Drug design; Phenoloxidase

Indexed keywords

BENZALDEHYDE; BENZOIC ACID; ENZYME INHIBITOR; MONOPHENOL MONOOXYGENASE; NITROGEN; QUINONE DERIVATIVE; SULFUR; THIOSEMICARBAZONE; TYROSINE;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; DENSITY FUNCTIONAL THEORY; DRUG DESIGN; HYDROXYLATION; IC 50; LEPIDOPTERA; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY;

ANIMALS; ELECTROSTATICS; ENZYME INHIBITORS; LEPIDOPTERA; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MONOPHENOL MONOOXYGENASE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

HEXAPODA; LEPIDOPTERA; PIERIS RAPAE;

EID: 42049112803     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2008.00651.x     Document Type: Article

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