The AutoDockVina (ADV) program written in Python vs3.8 and included in the PyRx-098/PyRx-1.0 package was used as described before ). Briefly, ADV docking was performed after *.pdbqt file conversion of the trimer protein and ligands 68 using the mmff94s (Merck) forcefield for energy minimization . Comparison of ligand InChiKeys before and after docking monitored for possible alterations of molecular geometries . ADV generates many possible conformers using the rotatable bonds of the input ligands and selects those with the lower docking-scores for output 73 ; 74 . Only the conformer with the lowest Kcal/mol docking-score per ligand was selected for the present studies.