Figure 4




Docking and binding pattern into COX-2 active site (PDB 1CX2) of Target compound C1, 2D (A), 3D (B), an overlay of the docked pose of compound C1 with co-crystalized ligand S58 2D (C), 3D (D) S58 (purple), C1 (yellow). Regarding compound C2, 2D (E), 3D (F), an overlay of the docked pose of compound C2 with co-crystalized ligand S58 2D (G), 3D (H) S58 (purple), C2 (yellow). Concerning C4, 2D (I), 3D (J), an overlay of the docked pose of compound C4 with co-crystalized ligand S58 2D (K), 3D (L) S58 (purple), C4 (yellow). Finally target compound C5, 2D (M), 3D (N), an overlay of the docked pose of compound C5 with co-crystalized ligand S58 2D (O), 3D (P) S58 (purple), C5 (yellow).