Organic molecules of botanical origin can offer a source of compounds of pest management that are more environmentally acceptable and an efficient alternative to replace persistent synthetic insecticides. The molecular docking study using Molegro Virtual Docker software identified that the triterpenoid azadirachtin A showed stable conformations, with lower energy in the ligand-receptor complex of the compounds analyzed in this study, thus having a high affinity for the active site of the enzyme acetylcholinesterase, from a variety of interactions, which can determine its insecticidal potential against the species Drosophila melanogaster.