4.10.2. Ligand Preparation

The structures of the major constituents from EO of *A. lanatum*—namely, α-pinene, camphene, β-pinene, β-myrcene, car-4-ene, α-terpinene, limonene, p-cymene, β-caryophyllene, α-humulene, β-farnesene, caryophyllene oxide, camphor, eucalyptol, nerol, and linalool were retrieved from the Pubchem compound database of the National Center for Biotechnology Information, with the respective IDs, as follows: CID—6654, CID—6616, CID—31253 14896, CID—16211587, CID—7462, CID—22311, CID—7463, CID—5281515, CID—10704181, CID—5281516, CID—1742210, CID—2537, CID—2758, CID—6549, and CID—643820, respectively. The downloaded structures were converted into PDB format using a freely available open-source tool, using pymol and Autodock docking tools.
