Synthesis and evaluation of thiazolyl coumarin drug conjugates as carbonic anhydrase isozyme inhibitors by using integrated invitro and insilico approaches.

ABSTRACT: A new series of thiazolyl-coumarin-drug conjugates were synthesized through the reaction of 3-bromoacetylcoumarin and N-substituted and N, N-di-substituted thioureas. The synthesized compounds were characterized by¹H-NMR,¹³C-NMR and FTIR spectroscopy and thoroughly analyzed through in-vitro and in-silico studies. Among these, derivatives 8b and 8d demonstrated significant inhibitory effects during in vitro analysis. Compound 8b exhibited a notable inhibition potential exhibiting IC₅₀ = 0.32 ± 0.04 µM against CAIX, while compound 8d showed a potent inhibitory effect with IC₅₀ = 0.38 ± 0.02 µM and 0.61 ± 0.05 µM against CAII and CAXII isozymes, respectively. Surpassing its standard inhibitor acetazolamide. Electronic characteristics of all synthesi

SUBMITTER: Ahmed A 

PROVIDER: S-EPMC12219748 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature