Bis-pharmacophore of cinnamaldehyde-clubbed thiosemicarbazones as potent carbonic anhydrase-II inhibitors.

ABSTRACT: Here, we report the synthesis, carbonic anhydrase-II (CA-II) inhibition and structure-activity relationship studies of cinnamaldehyde-clubbed thiosemicarbazones derivatives. The derivatives showed potent activities in the range of 10.3 ± 0.62-46.6 ± 0.62 µM. Among all the synthesized derivatives, compound 3n (IC₅₀ = 10.3 ± 0.62 µM), 3g (IC₅₀ = 12.1 ± 1.01 µM), and 3h (IC₅₀ = 13.4 ± 0.52 µM) showed higher inhibitory activity as compared to the standard inhibitor, acetazolamide. Furthermore, molecular docking of all the active compounds was carried out to predict their behavior of molecular binding. The docking results indicate that the most active hit (3n) specifically mediate ionic interaction with the Zn ion in the active site of CA-II. Furthermore, the Th

SUBMITTER: Rasool A 

PROVIDER: S-EPMC9515202 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature