In Silico Study, Synthesis and Evaluation of Cytotoxic Activity of New Sulfonamide-Isatin Derivatives as Carbonic Anhydrase Enzyme Inhibitors

Aim: Design, molecular docking, synthesis, and evaluation of cytotoxic activity of new compounds I, II, III, and IV that have isatin-sulfonamide derivatives.
Materials and Methods: for chemical synthesis, chemical compounds such as sulfonamide, 4-amino ethyl benzoate, isatin, and its derivatives were used. For the docking study (MOE), software program version 2015.10 was used. The MTT assay was utilized to predict the cytotoxic activity.
Results: The synthesized compounds demonstrated significant inhibition of carbonic anhydrase XII activity through molecular docking, as well as significant inhibition of cancer cell viability. Compounds II and IV show higher S-scores than acetazolamide. Also, the MTT assay shows that compounds II and IV have IC50 values of 0.06 µM and 0.105 µM against MCF-7 cells, respectively, while acetazolamide has an IC50 value of 0.394 µM. While acetazolamide had an IC50 of 0.901 µM, compounds II and IV had IC50s of 0.063 µM and 0.114 µM against Hct116 cells, respectively. The MTT assay explains compounds II and IV have better cytotoxic activity compared with acetazolamide.
Conclusion: New compounds that were produced showed signs of cytotoxicity and carbonic anhydrase inhibitory qualities.