3D pharmacophore model for insect repellent activity and discovery of new repellent candidates

QSAR and Combinatorial Science

Volumn 24, Issue 5, 2005, Pages 593-602

  Bhattacharjee, Apurba K ^a,b   Dheranetra, Watanaporn ^b   Nichols, Daniel A ^a   Gupta, Raj K ^c  

^a Department of Medicinal Chemistry   (United States)

^b WALTER REED ARMY INSTITUTE OF RESEARCH   (United States)

^c Research Plans and Programs   (United States)

Author keywords

3D QSAR; Insect repellents; Pharmacophore

Indexed keywords

COMPUTATIONAL CHEMISTRY; PHARMACODYNAMICS;

3D-QSAR; HYDROGEN BOND ACCEPTORS; HYDROPHOBIC SITES; INSECT REPELLENT; PHARMACOPHORE MODELS; PHARMACOPHORES; QSAR STUDIES; QUANTITATIVE STRUCTURE ACTIVITY; THREE-DIMENSIONAL QUANTITATIVE STRUCTURES; TRAINING SETS;

HYDROGEN BONDS;

1 BUTYL 4 METHYLCARBOSTYRIL; 1,3 BISBUTOXYMETHYL 2 IMIDAZOL; 1,3 PROPANEDIOL BENZOATE; 2 BUTYL 2 ETHYL 1,3 PROPANEDIOL; DIETHYLTOLUAMIDE; DIISOBUTYL MALATE; HEXACHLOROPHENE; INSECT REPELLENT; N,N DIETHYL 2 CHLOROBENZAMIDE; N,N DIETHYL 2 ETHOXYBENZAMIDE; N,N DIPROPYL 2 BENZYLOXYACETATE; N,N DIPROPYL 2 ETHOXYBENZAMIDE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CATALYST; CORRELATION ANALYSIS; DRUG POTENCY; GEOMETRY; HYDROGEN BOND; INSECT CONTROL; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; METHODOLOGY; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING; TRAINING;

INSECTA;

EID: 23044472928     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200430914     Document Type: Article

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