UNASSIGNED: The @entity40031 , @entity40031 (Acari: Tetranychidae), is an economically important and extremely polyphagous herbivorous pest, with the title of "resistance champion" among arthropods. Anticholinesterase insecticides such as @entity5139 and @entity2961 account for more than one-third of global insecticide sales. The non-target @entity137 and resistance problem of @entity5139 and @entity2961 have become of growing concern, which may be due to the fact that they target the ubiquitous catalytic @entity563 residue of acetylcholinesterase ( @entity10810 ) in mammals, birds, and beneficial insects. In this study, the structural differences between @entity40031 @entity10810 and @entity1 @entity10810 , at or near the catalytic pocket, were illustrated. From the SPECS chemical lead-compound database, 55 @entity10810 inhibitor candidates were screened for high affinity for @entity40031 @entity10810 , but low affinity for @entity1 @entity10810 , using the @entity69913 and AutoDock Vina software. Three of the fifty-five candidates had inhibitory activity greater than that of the reversible @entity10810 inhibitor @entity2607 , with no observed inhibitory activities against @entity1 @entity10810 . Two of the three had @entity137 to @entity40031 comparable to that of natural insecticidal @entity312 . However, their potency is low compared with that of @entity46737 , and further work is needed to optimize their potency. The selectivity of the three compounds over @entity1 and mite @entity10810 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 @entity40031 with reduced @entity137 to non-target species and a low propensity for resistance.

Novel and selective acetylcholinesterase inhibitors for XXXX (Acari: Tetranychidae).

@entity1 :: ('9606', 'Species') :: ['human'] @entity137 :: ('MESH:D064420', 'Disease') :: ['toxicity'] @entity69913 :: ('57572', 'Gene') :: ['DOCK 6'] @entity46737 :: ('MESH:C508136', 'Chemical') :: ['etoxazole'] @entity40031 :: ('93129', 'Species') :: ['Tetranychus cinnabarinus', 'carmine spider mite', 'T. cinnabarinus'] @entity2607 :: ('MESH:D010830', 'Chemical') :: ['eserine'] @entity2961 :: ('CHEBI:28616', 'Chemical') :: ['carbamate'] @entity563 :: ('CHEBI:17822', 'Chemical') :: ['serine'] @entity10810 :: ('43', 'Gene') :: ['AChE'] @entity312 :: ('MESH:D011722', 'Chemical') :: ['pyrethrins'] @entity5139 :: ('D010755', 'Chemical') :: ['organophosphate']
@entity40031 :: (93129,Species) :: ['Tetranychus cinnabarinus']
