Novel and selective acetylcholinesterase inhibitors for Tetranychus cinnabarinus (Acari: Tetranychidae)

The carmine spider mite, Tetranychus cinnabarinus (Acari: Tetranychidae), is an economically important and extremely polyphagous herbivorous pest, with the title of “resistance champion” among arthropods. Anticholinesterase insecticides such as organophosphate and carbamate account for more than one...

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Bibliographic Details
Published in:Insect biochemistry and molecular biology 2015-11, Vol.66, p.129-135
Main Authors: Bu, Chunya, Peng, Bo, Cao, Yang, Wang, Xiaoqin, Chen, Qing, Li, Jinling, Shi, Guanglu
Format: Article
Language:English
Subjects:
Acari
Acaricides - chemistry
Acetylcholinesterase - chemistry
Animals
Anticholinesterase
Araneae
Arthropoda
Cholinesterase Inhibitors - chemistry
Human
Humans
Insecticide Resistance
Models, Molecular
Molecular Docking Simulation
Selective insecticides
Tetranychidae
Tetranychidae - enzymology
Tetranychus cinnabarinus
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Summary:The carmine spider mite, Tetranychus cinnabarinus (Acari: Tetranychidae), is an economically important and extremely polyphagous herbivorous pest, with the title of “resistance champion” among arthropods. Anticholinesterase insecticides such as organophosphate and carbamate account for more than one-third of global insecticide sales. The non-target toxicity and resistance problem of organophosphate and carbamate have become of growing concern, which may be due to the fact that they target the ubiquitous catalytic serine residue of acetylcholinesterase (AChE) in mammals, birds, and beneficial insects. In this study, the structural differences between T. cinnabarinus AChE and human AChE, at or near the catalytic pocket, were illustrated. From the SPECS chemical lead-compound database, 55 AChE inhibitor candidates were screened for high affinity for T. cinnabarinus AChE, but low affinity for human AChE, using the DOCK 6 and AutoDock Vina software. Three of the fifty-five candidates had inhibitory activity greater than that of the reversible AChE inhibitor eserine, with no observed inhibitory activities against human AChE. Two of the three had toxicity to T. cinnabarinus comparable to that of natural insecticidal pyrethrins. However, their potency is low compared with that of etoxazole, and further work is needed to optimize their potency. The selectivity of the three compounds over human and mite AChE may be due to their interaction with the mite-specific residues, as analyzed by Cyscore. The three compounds are potential lead compounds for development of novel acaricides against T. cinnabarinus with reduced toxicity to non-target species and a low propensity for resistance. Novel and selective AChE inhibitors were screened to be potential lead compounds for development of novel acaricides against Tetranychus cinnabarinus with reduced toxicity to non-target species and a low propensity for resistance. [Display omitted] •We illustrated the structural differences between mite and human AChE.•Three AChE inhibitors were screened for high selectivity over mite and human AChE.•Two of the three had toxicity to mites comparable to that of natural insecticidal pyrethrins.•The reason for their selectivity is their interaction with the mite-specific residues.
ISSN:0965-1748
1879-0240
DOI:10.1016/j.ibmb.2015.10.012