3.4.8. Molecular Docking between HSA and QTP

The mechanism of QTP binding with HSA has been predicted by molecular docking using AutoDock Vina [51]. The molecular structure of HSA (PDB ID: 1AO6) and QTP (Chem-Spider ID 4827) was obtained from Protein Data Bank (PDB) and Chem-spider, respectively. In the docking protocol, a grid box size of 60 × 60 × 60 with coordinates set to x = 45, y = 12, and z = 18 was built to cover the entire protein. All other parameters were maintained to the default setting. The docked structure of the HSA-QTP system was analyzed with Discovery studio.
