In Silico Study of New Isatin- Sulfonamide Derivatives as Carbonic Anhydrase Inhibitors.

OBJECTIVE

Aim: To evaluate compound I, II, III, and IV's anticancer properties that have just been produced. These substances were created with the specific purpose of targeting solid tumors' carbonic anhydrase enzyme.

PATIENTS AND

METHODS

Materials and

Methods

The chemical synthesis involved the use of 4-aminobenzenesulfonamide, Ethyl 4-aminobenzoate, isatin and its derivatives, absolute ethanol, DMF, glacial acetic acid. Docking studies were conducted using the MOE software program version 2015.10.

RESULTS

Results

Since acetazolamide and the sulfanilamide group shared the same pharmacophore, they were chosen. When compared to acetazolamide, compounds II and III produced a maximum score and an irreversible relationship.

CONCLUSION

Conclusions

Using the Molecular Operating Environment (MOE) software, the binding model and two values the RMSD and S.score-are computed for newly synthesized compounds. When compared to acetazolamide, the theoretically generated compounds showed promise results with these proteins and good binding affinities with the receptor active pocket (S. score: - 6.89, -7.12, -6.75).