Synthesis of Thiazole-methylsulfonyl Derivatives, X-ray Study, and Investigation of Their Carbonic Anhydrase Activities: In Vitro and In Silico Potentials DOI Creative Commons

Zahra Maryam,

Ayşen Işık,

Emine Rana Bağcı

и другие.

ACS Omega, Год журнала: 2025, Номер unknown

Опубликована: Март 27, 2025

This study focused on the design, synthesis, chemical characterization, and potential inhibitory of thiazole-methylsulfonyl derivatives against carbonic anhydrase enzymes. The synthesized compounds, with characteristics both thiazole ring methyl sulfonyl group, were through a two-step scheme, their structures confirmed NMR spectroscopy HRMS. Additionally, structure compound 2b was elucidated by an X-ray study. An enzyme inhibition assay performed to assess biological activity anhydrases, compounds showed promising results anhydrases I II, highlighting for specificity targeted therapy. effects these molecules in vitro activities investigated spectrophotometric methods. For this purpose, concentrations (IC50 values) that inhibited isoenzymes (hCA hCA II) 50% calculated. IC50 values found between 39.38-198.04 μM (AAZ = 18.11 μM) 39.16-86.64 20.65 μM). Molecular docking studies have shown 2a 2h exhibit stable interaction networks combinations studies, molecular thus enlighten significance further optimization pharmacological profiling developing therapeutic agents anhydrase. Moreover, provides insight future research synthesis heterocyclic applications.

Язык: Английский

Synthesis of Thiazole-methylsulfonyl Derivatives, X-ray Study, and Investigation of Their Carbonic Anhydrase Activities: In Vitro and In Silico Potentials DOI Creative Commons

Zahra Maryam,

Ayşen Işık,

Emine Rana Bağcı

и другие.

ACS Omega, Год журнала: 2025, Номер unknown

Опубликована: Март 27, 2025

This study focused on the design, synthesis, chemical characterization, and potential inhibitory of thiazole-methylsulfonyl derivatives against carbonic anhydrase enzymes. The synthesized compounds, with characteristics both thiazole ring methyl sulfonyl group, were through a two-step scheme, their structures confirmed NMR spectroscopy HRMS. Additionally, structure compound 2b was elucidated by an X-ray study. An enzyme inhibition assay performed to assess biological activity anhydrases, compounds showed promising results anhydrases I II, highlighting for specificity targeted therapy. effects these molecules in vitro activities investigated spectrophotometric methods. For this purpose, concentrations (IC50 values) that inhibited isoenzymes (hCA hCA II) 50% calculated. IC50 values found between 39.38-198.04 μM (AAZ = 18.11 μM) 39.16-86.64 20.65 μM). Molecular docking studies have shown 2a 2h exhibit stable interaction networks combinations studies, molecular thus enlighten significance further optimization pharmacological profiling developing therapeutic agents anhydrase. Moreover, provides insight future research synthesis heterocyclic applications.

Язык: Английский

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