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Balachandran Chellapandian,Anbalagan Sankarappan,Kandeepan Chithan,Arun Nagendran Natarajan,Jayakumar Manickkam,Fathi Abd_Allah Elsayed,Alqarawi Abdulaziz A.,Hashem Abeer,Kathirvelu Baskar 한국응용곤충학회 2021 Journal of Asia-Pacific Entomology Vol.24 No.3
Mosquitoes are medically important insects worldwide. They serve as a primary vector for transmitting several major diseases like dengue and chikungunya, chiefly spread through Aedes aegypti, a prominent mosquito vector. The present study focused on evaluating the inhibitory effect of natural alkaloids on the acetylcholinesterase present in Ae. aegypti using molecular docking studies. A total of 25 different alkaloids were selected as ligands and their docking ability with an Acetylcholinesterase 1 (AChE1) recept or found in Ae. aegypti was performed by AutoDock. Results indicated that alpha-solanine had the best fit into the AChE1 binding pocket with a minimum binding energy of − 8.13 kJ/mol. Among the different alkaloids tested, it is suggested that alpha-solanine would serve as the best inhibitor of AChE1 in Ae. aegypti.