Synthesis of Novel Diclofenac Hydrazones: Molecular Docking, Anti-Inflammatory, Analgesic, and Ulcerogenic Activity

Figure 5

2D representation of binding of compound 8 with COX-1 and COX-2. (a) Binding of compound 8 with COX-1 amino acid residues. It can be seen that compound 8 is making hydrogen bonds with Try-130 and Cys-41 (green dotted line) while the majority of interactions are hydrophobic in nature. (b) Binding of compound 8 with COX-2 amino acid residues. It can be seen that compound 8 is making hydrogen bonds with Asp-111, Glu-451, Gln447, Arg-455 Arg-445 (green dotted line) while majority of interactions are hydrophobic in nature.

(a)

(b)