Actions between neonicotinoids and key residues of insect nAChR based on an ab initio quantum chemistry study: Hydrogen bonding and cooperative π-π interaction

Bioorganic and Medicinal Chemistry

Volumn 15, Issue 7, 2007, Pages 2624-2630

  Wang, Yanli ^a   Cheng, Jiagao ^a   Qian, Xuhong ^a   Li, Zhong ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Binding model; Neonicotinoids; Nicotinic acetylcholine receptor

Indexed keywords

ARGININE; GUANIDINE; INSECTICIDE; LYSINE; NICOTINIC ACID DERIVATIVE; NICOTINIC RECEPTOR; NITROGEN; PYRIDINE DERIVATIVE; SKATOLE; TRYPTOPHAN;

AB INITIO CALCULATION; ARTICLE; BINDING AFFINITY; CHEMICAL INTERACTION; COMPLEX FORMATION; CONJUGATION; HYDROGEN BOND; QUANTUM CHEMISTRY; RECEPTOR BINDING; SIMULATION;

ANIMALS; CHEMISTRY, PHYSICAL; HYDROGEN BONDING; INDOLES; INSECTS; MODELS, MOLECULAR; MOLECULAR MIMICRY; NICOTINE; NITRO COMPOUNDS; QUANTUM THEORY; RECEPTORS, NICOTINIC; STRUCTURE-ACTIVITY RELATIONSHIP;

HEXAPODA;

EID: 33847615281     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2007.01.047     Document Type: Article

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