Virtual high-throughput screening of insect acetylcholinesterase inhibitors

Abstract

Acetylcholinesterase (Ache, EC 3.1.1.7) is a substrate specific enzyme that catalyzes the hydrolysis of the neurotransmitter acetylcholine (Ach) in the nerve synapses. Hydrolysis of the neurotransmitter leads to decrease in the concentration of the acetylcholine. An optimum level of Ach should be maintained in the brain for its proper function. An increased and decreased level of Ach hampers the functioning of brain. Thus Ache performs a critical function in the nervous system of all organisms including insects. Any impairment of Ache action leads to imbalance in the nervous system and will be fatal for organism concerned. Therefore, Ache seems to be an attractive target for identifying receptor specific insecticides. The present study is focused on finding the more efficient inhibitors for Ache through virtual high-throughput screening methods.