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

Figure 6

SeeSAR analysis (visual assessment of binding affinity) for compound 32 (a) and compound 36 (b) (selective hCA IX inhibitors over hCA XII) docked against hCA XII. The structural elements responsible for the favorable contribution to the overall binding affinity are shown in green coronas; the greater the sphere of the corona, the greater is the contribution. Similarly, the structural elements contributing unfavorably to the overall binding are shown in red coronas. The structural elements that are not contributing either favorably or unfavorably are not colored.