Evaluation of the Leaf Essential Oil from Artemisia vulgaris and Its Larvicidal and Repellent Activity against Dengue Fever Vector Aedes aegypti—An Experimental and Molecular Docking Investigation

Abstract

Aedes aegypti is a mosquito vector that spreads dengue fever and yellow fever worldwide in tropical and subtropical countries. Essential oil isolated from Artemisia vulgaris is found to have larvicidal and repellent action against this vector. The dried leaves were subjected to hydrodistillation using a clevenger-type apparatus for 4 h. The isolated essential oil was analyzed by using gas chromatography–mass spectrometry, and the major insecticidal compounds were identified as α-humulene (0.72%), β-caryophyllene (0.81%), and caryophyllene oxide (15.87%). Larvicidal activity results revealed that the essential oil exposure for 24 h period against the third stage larvae was LC50 = 6.87, LC90 = 59.197 ppm and for the fourth stage larvae LC50 = 4.269, LC90 = 50.363 ppm. Highest mortality rates were observed at 24 h exposure period of third and fourth stages, and the exposed A. aegypti larvae were subjected to histo chemical studies, and the studies revealed that larvae cells got totally damaged (midgut and cortex). The repellent activity results revealed that at 50% concentration of the essential oil showed the highest repellent activity at 60 min protection time against the A. aegypti female mosquitoes. To gain further insights into the insecticidal activity, density functional theory and molecular docking calculations were performed with the active components of this essential oil as the ligand and NS3 protease domain (PDB ID: 2FOM) as a receptor. Molecular docking calculation results show that (E)-β-caryophyllene strongly binds with NS3 protease domain than (Z)-β-caryophyllene, α-humulene, and β-caryophyllene oxide and is the major active component for the insecticidal action. It primarily interacts with the receptor through hydrophobic and ionic forces and using water bridges between the amino acid residues in the binding pocket and (E)-β-caryophyllene.

Phytochemistry and pharmacological activity of the genus artemisia

“…The roots of grass acclimated as a tonic as well as an antiseptic. This medicinal herb also manifests other important therapeutic activities like antimicrobial, antiulcer, anticancer, antioxidant, asthmatic insecticidal, larvicidal, and anti-inflammatory (Ng 2004 ; Ahameethunisa and Hopper 2010 ; Paneerselvam et al 2012 ; Naik et al 2014 ; Balasubramani et al 2018 ).…”

Significance of Artemisia Vulgaris L. (Common Mugwort) in the History of Medicine and Its Possible Contemporary Applications Substantiated by Phytochemical and Pharmacological Studies

“…The activity of essential oil obtained from the leaves and nanoparticles prepared with leaf extracts was evaluated by Lavor et al from Brazil and Balasubramani et al from India [ 122 , 123 ].…”

Artemisia vulgaris efficacies against various stages of Aedes aegypti

“…The larvicidal LC 50 of A. vulgaris extract against Ae. aegypti reported here is higher in 24 h exposure, i.e., 18.6 ppm than that of A. vulgaris in essential oil form, 4.269 ppm [ 44 ].…”

“…aegypti is reportedly resistant to pyrethroid-based insecticide, which is commonly used by the Indonesian people [ 28 ]. The active components of A. vulgaris , i.e., camphor (26.99%), α-humulene (0.72%), β-caryophyllene (0.8%), and β-caryophyllene oxide (15.87%), have demonstrated strong insecticidal activity [ 44 ]. In addition, the administration of a plant-based formulation is relatively risk-free.…”