Publication: Thiosemicarbazide-Substituted Coumarins as Selective Inhibitors of the Tumor Associated Human Carbonic Anhydrases IX and XII
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Date
2022-07-01T00:00:00Z
Authors
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GÜMÜŞ PALABIYIK, ARZU
Bozdag, Murat
AKDEMİR, ATİLLA
Angeli, Andrea
Selleri, Silvia
Carta, Fabrizio
Supuran, Claudiu T.
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Abstract
A novel series of thiosemicarbazide-substituted coumarins was synthesized and the inhibitory effects against four physiologically relevant carbonic anhydrase isoforms I, II, IX and XII showed selective activities on the tumor-associated IX and XII isozymes. Molecular modeling studies on selected compounds 14a and 22a were performed. The binding modes of such compounds were determined assuming their enzymatically active structures (i.e., cinnamic acid) in the thermodynamically favored, and not previously explored, E geometry. Molecular modelling suggests multiple interactions within the enzymatic cavity and may explain the high potency and selectivity reported for the hCAs IX and XII.
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GÜMÜŞ PALABIYIK A., Bozdag M., AKDEMİR A., Angeli A., Selleri S., Carta F., Supuran C. T. , -Thiosemicarbazide-Substituted Coumarins as Selective Inhibitors of the Tumor Associated Human Carbonic Anhydrases IX and XII-, MOLECULES, cilt.27, sa.14, 2022