2.1. Molecular Docking

CB-Dock was used to predict the binding affinity between the main ingredients of SMY and NLRP3. The major components of SMY were 11 chemical components found in rat serum: ginsenoside Rg1, ginsenoside Re, ginsenoside Rf, ginsenoside Rg2, ginsenoside Rb1, ginsenoside Rd, ginsenoside Rc, ophiopogonin D, schisandrin, schisandrol B, and schisandrin B [13]. The structures were downloaded from the PubChem website and then the hydrogens and charge were added. The PDB format of NLRP3 (ID: 6npy) [14] was downloaded from RCSB (https://www.rcsb.org/), waters and het groups were deleted, and hydrogens were added, and then the docking procedure was submitted [15].