Larvicidal Activity, GC–MS Profiling and Multitarget Molecular Docking of Essential Oils from Cymbopogon citratus, Tanacetum cinerariifolium and Salvia rosmarinus Against Anopheles arabiensis

Malaria remains a major public health challenge, particularly in sub-Saharan Africa, necessitating the development of environmentally sustainable alternatives to conventional insecticides. This study evaluated the larvicidal efficacy of essential oils extracted from Cymbopogon citratus, Tanacetum cinerariifolium and Salvia rosmarinus against Anopheles arabiensis larvae. The phytochemical composition of the essential oils was characterized using gas chromatography–mass spectrometry (GC–MS), while their potential molecular mechanisms of action were investigated through molecular docking against selected mosquito larval target proteins. All essential oils exhibited concentration-dependent larvicidal activity, with T. cinerariifolium (LC50 = 511.0 mg/L; 95% CI: 473.3–547.1 mg/L) and C. citratus (LC50 = 602.7 mg/L; 95% CI: 559.3–648.5 mg/L) demonstrating the greatest potency. GC–MS analysis identified sesquiterpene hydrocarbons as the predominant constituents of T. cinerariifolium, whereas oxygenated monoterpenes dominated the oils of C. citratus and S. rosmarinus. Hierarchical molecular docking followed by MM-GBSA analysis against mosquito juvenile hormone-binding protein (JHBP) and sterol carrier protein-2 (SCP-2) revealed that 87.13% and 77.23% of the identified phytochemicals, respectively, exhibited favorable binding affinities toward these targets, indicating that a substantial proportion of the essential oil constituents have the potential to interact with proteins critical for mosquito development and survival. Farnesol emerged as the most promising multitarget phytochemical, displaying consistently favorable docking scores and binding free energies against both proteins, while 1,10-di-epi-cubenol and (5Z,9Z)-farnesyl acetone exhibited the strongest target-specific interactions with JHBP and SCP-2, respectively. In addition, the lead compounds satisfied Tice’s insecticide-likeness criteria, supporting their suitability as insecticidal leads. Collectively, these findings demonstrate that the larvicidal activity of the investigated essential oils is likely mediated through the synergistic action of multiple phytochemicals acting on complementary molecular targets, highlighting T. cinerariifolium and C. citratus as promising sources of eco-friendly botanical larvicides for mosquito vector control.