Jornal de Desenvolvimento de Drogas
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Control of Aedes aegypti Mosquito Vector by Attempting QSAR Modeling on Phenoxyacetamide-Based Inhibitors to Target AChE1

Aaliya Naaz, Mohit Kumar, Ankita Sharma, Deepak Teotia, Sisir Nandi and Mridula Saxena

Female Aedes aegypti and Anopheles gambiae mosquitoes are living vectors liable for transmitting many parasitic and dreadful viral diseases. The major target is acetyl cholinesterase (AChE) 1 enzyme for the parasite transmission. Anopheles gambiae carries AgAChE1 enzyme responsible for the malaria parasite whereas Aedes aegypti carries AaAChE1 enzyme that injects dengue, yellow fever, Zika, and chikungunya viruses to the healthy individuals. These vector-borne infections are now a major public threat. Deforestation and global warming may cause drastic change of the climate which causes vector-borne disease to re-emerge worldwide. Control of mosquito vector saves many lives. One of the mechanisms to kill the mosquito vector is to use insecticides such as chlorinated hydrocarbons, organophosphates, carbamates, and pyrethroids recommended by the World Health Organization (WHO). These are covalent inhibitors of acetyl cholinesterase enzyme and their accumulation may produce ecotoxicity to the nontargets including aquatic animals and humans. It was shown that non covalent phenoxyacetamide-based inhibitors can specifically target acetyl cholinesterase (AChE) 1 responsible for the vector transmission. Therefore, an attempt has been made to explore AChE1 target via ligand based quantitative structure-activity relationship (QSAR) modeling on phenoxyacetamide-based compounds to predict crucial features of these inhibitors responsible for the design of highly active ligands.