Chemical composition and insecticidal activity of essential oils from Citrus limon, Citrus aurantium, and Citrus margarita against Musca domestica

Abstract

Abstract There are numerous culinary and therapeutic applications for citrus peel essential oils. In this study, we used GC/MS analysis to investigate the differences in yield and chemical composition of the essential oils extracted from the fresh peels of three Citrus species: C. limon , C. aurantium , and C. margarita . In total, 21 compounds were isolated from C. limon , 15 from C. aurantium , and 9 from C. margarita . The most prevalent constituents were α-myrcene (ranging from 7.05 to 12.80% and 11.50%) and D-limonene (ranging from 15.46 to 71.71% and 71.59%). Furthermore, the essential oils of the three citrus species were tested for their ability to kill adult houseflies ( Musca domestica ). The results showed that C. limon oil was more effective than C. aurantium and C. margarita oils, with an LC 50 value of 3.19 and a 100% toxicity index. An in silico study assessed 31 Citrus-derived compounds for their insecticidal potential against Musca domestica by targeting acetylcholinesterase (AChE). Network and docking analysis identified geranyl acetate as the top binder (− 10.2 kcal/mol), interacting with key residues involved in neurotransmission. A 100 ns molecular dynamics confirmed its stable binding and supports its potential role as a natural AChE inhibitor for insect control. These findings offer a molecular basis for upcoming experimental verification and advancement of environmentally benign pesticides derived from citrus.