*2.5.1 Docking of LmTR*

The generated hit compounds were uploaded into PyRx (Version 0.9.6) [23]. The energy of the ligands was minimized using Universal Force Field (UFF) option in Open Babel incorporated in PyRx prior to docking. This was done to obtain 3D ligand structures which constitute atomic elements that have proper bond lengths between their atoms [39]. Ligands were converted to PDBQT format using AutoDock Vina embedded in the PyRx. Predicted active site residues were selected within a grid box of dimensions X: 42.39 Å, Y: 35.47 Å, and Z: 31.05.14 Å; and centre X: 28.58 Å, Y: 57.09 Å, and Z: 2.24 Å within the AutoDock Vina environment of PyRx for docking process.
