Insecticidal Activity of Organic Extracts of and Its Main Metabolites (Quercetin and Chlorogenic Acid) against : An In Vitro and In Silico Approach.

() remains a global primary pest of maize. Therefore, new options to combat this pest are necessary. In this study, the insecticidal activity of three crude foliar extracts (ethanol, dichloromethane, and hexane) and their main secondary metabolites (quercetin and chlorogenic acid) of the species () by ingestion bioassays against larvae was analyzed. Additionally, the extracts were phytochemically elucidated by ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) analysis. Finally, an in silico study of the potential interaction of quercetin on acetylcholinesterase was performed. Organic extracts were obtained in the range from 5 to 33%. The ethanolic extract caused higher mortality (81%) with a half-maximal lethal concentration (LC) of 0.496 mg/mL. Flavonoid secondary metabolites such as hyperoside, quercetin, isoquercetin, kaempferol, and avicularin and some phenolic acids such as chlorogenic acid, solidagoic acid, gallic acid, hexoside, and rosmarinic acid were identified. In particular, quercetin had an LC of 0.157 mg/mL, and chlorogenic acid did not have insecticidal activity but showed an antagonistic effect on quercetin. The molecular docking analysis of quercetin on the active site of acetylcholinesterase showed a -5.4 kcal/mol binding energy value, lower than acetylcholine and chlorpyrifos (-4.45 and -4.46 kcal/mol, respectively). Additionally, the interactions profile showed that quercetin had π-π interactions with amino acids W198, Y235, and H553 on the active site.