Makale detayı · 2025
Synthesis of Thiazole-methylsulfonyl Derivatives, X-ray Study, and Investigation of Their Carbonic Anhydrase Activities: In Vitro and In Silico Potentials
- Yıl
- 2025
- Tür
- article
Veri kaynağı ayrımı
- YÖKSİS YÖKSİS makale kaydı
- YÖKSİS dergi adı ACS Omega
- Katalog eşleşmesi (ISSN) ACS Omega
- OpenAlex OpenAlex zenginleştirmesi (özet, atıf, konular)
Özet
OpenAlex · İngilizce
High Resolution Image Download MS PowerPoint Slide This study focused on the design, synthesis, chemical characterization, and potential inhibitory study of thiazole-methylsulfonyl derivatives against carbonic anhydrase enzymes. The synthesized compounds, with the characteristics of both the thiazole ring and methyl sulfonyl group, were synthesized through a two-step scheme, and their structures were confirmed through NMR spectroscopy and HRMS. Additionally, the structure of compound 2b was elucidated by an X-ray study. An enzyme inhibition assay was performed to assess their biological activity against carbonic anhydrases, and the compounds showed promising results against carbonic anhydrases I and II, highlighting their potential for specificity and targeted therapy. The effects of these molecules on in vitro enzyme activities were investigated by spectrophotometric methods. For this purpose, the concentrations (IC 50 values) of compounds that inhibited the biological activities of carbonic anhydrase isoenzymes (hCA I and hCA II) by 50% were calculated. The IC 50 values were found between 39.38–198.04 μM (AAZ IC 50 = 18.11 μM) for hCA I and 39.16–86.64 μM (AAZ IC 50 = 20.65 μM). Molecular docking studies have shown that compounds 2a and 2h exhibit stable interaction networks with targeted enzymes. The combinations of both studies, enzyme inhibition assay and molecular docking studies, thus enlighten the significance of these compounds for further optimization for pharmacological profiling and for developing therapeutic agents against carbonic anhydrase. Moreover, the study provides insight for future research on the synthesis of heterocyclic compounds against carbonic anhydrase for therapeutic applications.
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