Molecular docking and three-dimensional quantitative structure-activity relationship studies on the binding modes of herbicidal 1-(substituted phenoxyacetoxy)alkylphosphonates to the E1 component of pyruvate dehydrogenase

Journal of Agricultural and Food Chemistry

Volumn 55, Issue 5, 2007, Pages 1871-1880

  Peng, Hao ^a   Wang, Tao ^a,b   Xie, Peng ^a   Chen, Ting ^a,c   He, Hong Wu ^a   Wan, Jian ^a  

^a CENTRAL CHINA NORMAL UNIVERSITY   (China)

^b JIANGXI NORMAL UNIVERSITY   (China)

^c CHINA UNIVERSITY OF GEOSCIENCES   (China)

Author keywords

1 (Substituted phenoxyacetoxy)alkylphosphonates; 3D QSAR; Binding model; Herbicidal activities; Molecular docking; Pyruvate dehydrogenase complex

Indexed keywords

HERBICIDE; PHOSPHONIC ACID DERIVATIVE; PYRUVATE DEHYDROGENASE;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; METABOLISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BINDING SITES; HERBICIDES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PHOSPHONIC ACIDS; PYRUVATE DEHYDROGENASE (LIPOAMIDE); QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33947594207     PISSN: 00218561     EISSN: None     Source Type: Journal    
DOI: 10.1021/jf062730h     Document Type: Article

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