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The small molecule ligand was processed using AutoDockTools 1.5.7 software, including adding hydrogen bonds and assigning proper torsion angles to chemical bonds, and then exported in PDBQT format
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The ligands were bound to D106 according to the crystal structures using the [intermolecular_interactions] block of GROMACS with a bond length of 0.185 nm, a force constant of 10 5 kJ mol 1 nm 2 and bond type 6
Perhaps it's best read as an illustration of the human body's interconnectedness that we are one system, and it, therefore, stands to reason that one drug can have multiple uses
Pharmacotherapy 1993;13:508-9.7;277:1238-43
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