Fig. 4. Molecular Docking and Pose Generation. (A) Chemical structure of silibinin is shown. (B) A docking study was performed as described in Materials and methods. Silibinin was docked with p38 MAPK structure (PDB code: 1OUK). The protein residues are shown in a ribbon model. (C) The proposed binding pose of silibinin shows an interaction with Lys152, Ser154, and His174. (D) Space filling model showing the binding of silibninin in the ATP binding pocket of p38 MAPK.