Quantitative structure-activity relationships for phenyl triazolinones of protoporphyrinogen oxidase inhibitors: A density functional theory study

Journal of Computational Chemistry

Volumn 25, Issue 15, 2004, Pages 1827-1832

  Wan, Jian ^a   Zhang, L I ^a   Yang, Guangfu ^a  

^a CENTRAL CHINA NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Inhibitors; Quantitative structure activity relationships

Indexed keywords

AROMATIC COMPOUNDS; BIOSYNTHESIS; ELECTRONIC STRUCTURE; ENZYME INHIBITION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION;

AROMATIC RING; MOLECULAR ORBITAL (MO) THEORY; PHYSICOCHEMICAL PARAMETERS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS;

CHLOROPHYLL;

BENZENE DERIVATIVE; ENZYME INHIBITOR; HERBICIDE; OXIDOREDUCTASE; PROTOPORPHYRINOGEN OXIDASE; TRIAZOLE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; IN VITRO STUDY; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BENZENE DERIVATIVES; ENZYME INHIBITORS; HERBICIDES; MODELS, CHEMICAL; MOLECULAR STRUCTURE; OXIDOREDUCTASES ACTING ON CH-CH GROUP DONORS; PROTOPORPHYRINOGEN OXIDASE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TRIAZOLES;

EID: 8344289100     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20122     Document Type: Article

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