Research Article

Synthesis, Carbonic Anhydrase II/IX/XII Inhibition, DFT, and Molecular Docking Studies of Hydrazide-Sulfonamide Hybrids of 4-Methylsalicyl- and Acyl-Substituted Hydrazide

Figure 2

Optimized geometries of all the compounds under study (19-36) at PBE0-D3BJ/def2-TZVP/SMDSolvent (Solvent = CDCl3, DMSO experimental solvent for NMR spectroscopy) level of the theory. In 3D models, grey color represents carbon, white represents hydrogens, yellow is for sulfur, red color is for oxygen, brown represents bromine, and blue color shows nitrogen atoms.