GC-MS Profile, Antioxidant Activity, and In Silico Study of the Essential Oil from Schinus molle L. Leaves in the Presence of Mosquito Juvenile Hormone-Binding Protein (mJHBP) from Aedes aegypti

Table 3

Ligand interaction energies and inhibitory concentrations with mosquito juvenile hormone-binding protein in the molecular docking study.

Ligand	Binding free energy (, kcal/mol)	Ki (μM)
Alpha-phellandrene	-7	14.6
Alpha-terpinene	-6.5	58.46
Beta-caryophyllene	-8.3	1.22
Beta-myrcene	-6.5	58.46
Beta-elemene	-8.3	1.22
Bicyclogermacrene	-7.6	7.46
Camphene	-7.2	13.06
D-Limonene	-7.3	12.57
Elixene	-9	0.398
Germacrene D	-9.5	0.226
Alpha-muurolene	-9.7	0.134
Alpha-pinene	-7.5	8.19
Beta-cadinene	-9.6	0.176
Beta-gurjunene	-8.2	1.67
Beta-phellandrene	-7.5	8.19
Beta-pinene	-7.5	8.19
Elemol	-7.7	6.15
γ-Cadinene	-9.7	0.134
Gamma-muurolene	-9.5	0.226
Bornyl acetate	-7.8	5.56
Humulene	-9.2	0.319
o-Cymene	-7	14.6
Sabinene	-7.3	12.57
t-Cadinol	-7.8	5.56
Terpinolene	-7.5	8.19
Tricyclene	-7	14.6
Gamma-Elemene	-7.6	7.46
Shyobunol	-9.1	0.332
Gamma-eudesmol	-8.9	0.913
Delta-cadinol	-7.8	5.56
τ-Muurolol	-8.4	1.01
Viridiflorol	-7.7	6.15
Pyriproxyfen (synthetic insecticide)	-9.9	0.099
Juvenile hormone III (JH3)	-9.2	0.319