Exploring the Larvicidal and Adulticidal Activity against Aedes aegypti of Essential Oil from Bocageopsis multiflora

Abstract

This study investigates the chemical composition of the essential oil obtained from the leaves of Bocageopsis multiflora (Mart.) R.E.Fr (Annonaceae), examining its effectiveness in combating both the larvae and adult forms of Aedes aegypti mosquitoes. Additionally, for a deeper understanding of the insecticidal activity, toxicity properties and molecular docking calculations were conducted using the main compounds of this essential oil. GC/MS analysis revealed the presence of 26 constituents, representing 95.2% of the essential oil, with the major components identified as the sesquiterpenes α-selinene, β-selinene, and β-elemene. Larvicidal assays demonstrated potent activity of this essential oil with significant LC₅₀ values of 40.8 and 39.4 μg/mL at 24 and 48 h, respectively. Adulticidal assessments highlighted strong efficacy with LC₅₀ of 12.5 µg/mL. Molecular docking analysis identified optimal interaction activities of α-selinene and β-selinene with key Aedes proteins. The in silico studies comparing synthetic insecticides with the major sesquiterpenes of the essential oil revealed that β-selinene exhibited a significantly higher binding affinity compared to the other two sesquiterpenes. Also, ADMET studies of the three main sesquiterpenes indicated acceptable drug-like properties. In these findings, safety evaluations showed low toxicity and skin sensitization for the main sesquiterpenes, contrasting with commercial synthetic insecticides. Therefore, in silico analyses suggest promising interactions with Aedes proteins, indicating its potential as an effective alternative to conventional insecticides These results show the larvicidal and adulticidal potential of the essential oil from Bocageopsis multiflora against Aedes aegypti, supported by its predominant constituents, α-selinene, β-selinene and β-elemene.

Keywords: Aedes; adulticidal; annonaceae; essential oil; larvicidal; molecular docking; sesquiterpenes.

Figure 1

Two-dimensional and three-dimensional intermolecular contact between EOs compounds: (A) β-selinene against Sterol Carrier Protein-2 (PDB = 1PZ4). (B) β-selinene against Aedes aegypti kynurenine aminotransferase (PDB = 6MFB). (C) α-selinene against Acetylcholinesterase (PDB = 6XYU).