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

Ammar Abdul Aziz Alibeg¹, Tuqa Salim Hussein¹

¹DEPARTMENT OF PHARMACEUTICAL CHEMISTRY, COLLEGE OF PHARMACY, UNIVERSITY OF KUFA, NAJAF, IRAQ.

Wiadomosci Lekarskie (Warsaw, Poland : 1960)

|December 11, 2024

Abstract

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).

Keywords:

cancer carbonic anhydrase inhibitor isatin sulfonamide in silico

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