Towards Sustainable Pest Management: Toxicity, Biochemical Effects, and Molecular Docking Analysis of Ocimum basilicum (Lamiaceae) Essential Oil on Agrotis ipsilon and Spodoptera littoralis (Lepidoptera: Noctuidae) Author AWad, Mona Dept of Biology, College of Science and Humanities, Prince Author Nancy, Amer · Author Hassan, N. Author M., Moataz A. text Neotropical Entomology 2024 2024-03-13 53 3 669 681 https://doi.org/10.1007/s13744-024-01137-6 journal article 310153 10.1007/s13744-024-01137-6 745b5858-5367-40e6-87ed-1289433aa2b0 1678-8052 PMC11074029 38478300 15557600

Table 6 Docking interaction data calculations of co-crystallized s-Hexylglutathione ligand (GTX) in the enzyme binding pocket and linalool with the active site of the receptor of GST (PDB ID: 1PN9)

Compound	Energy score (S) (Kcal/mol)	Affinity bond strength (Kcal/mol)	Affinity bond length (in Ao from main residue)	Amino acids	Ligand	Interaction
s-Hexylglutathione	− 4.558	− 4.9	2.61	GLU 202	O 33	H-donor
		− 1.2	3.01	SER 9	O 11	H-acceptor
		− 1.1	2.98	LYS 206	N 29	H-acceptor
		− 1.5	3.18	MET 34	O 36	H-acceptor
Linalool	− 4.7748	− 1.3	2.96	SER 9	O 28	H-acceptor