Journal of enzyme inhibition and medicinal chemistry · 2023
Carbonic anhydrase inhibitory activity of phthalimide-capped benzene sulphonamide derivatives.
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Shilkar Deepak, Mohd Siddique Mohd Usman, Bua Silvia, Yasmin Sabina, Patil Mrunali, Timiri Ajay Kumar, Supuran Claudiu T, Jayaprakash Venkatesan
Аннотация
A series of phthalimide-capped benzene sulphonamides (1-22) reported by our group for dengue protease inhibitory activity have been evaluated for their carbonic anhydrase (hCA, EC 4.2.1.1) inhibitory activity against hCA I, hCA II. Compounds 1, 3, 10, and 15 showed hCA I inhibition, whereas 1, 4, and 10 showed hCA II inhibition at nanomolar concentrations. Among these compounds, 1 displayed potent inhibitory activity against the hCA I (Ki = 28.5 nM) and hCA II (Ki = 2.2 nM), being 10 and 6 times more potent than acetazolamide, a standard inhibitor (Ki = 250 nM and 12 nM), respectively. Furthermore, this compound displayed 14-fold selectivity towards the hCA II isoform compared to hCA I. Molecular docking and MD simulations were performed to understand the atomic level interactions responsible for the selectivity of compound 1 towards hCA II.