期刊
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY
卷 33, 期 1, 页码 1299-1308出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/14756366.2018.1499628
关键词
carbonic anhydrase IX; hCA IX; thiazolidinone; molecular modelling; docking
资金
- Istanbul University Scientific Research Projects Department [BEK-2017-24737, BYP-2016-23202]
A small collection of 26 structurally novel thiazolidinone-containing compounds, without the well-known sulphonamide zinc-binding group, were synthesised and tested in enzyme inhibition assays against the tumour-associated hCA IX enzyme. Inhibition constants in the lower micromolar region (K-I <25 mu M) have been measured for 17 of the 26 compounds. Even though the K-I values are relatively weak, the fact that they do not contain a sulphonamide moiety suggests that these compounds do not interact with the active site zinc ion. Therefore, docking studies and molecular dynamics simulations have been performed to suggest binding poses for these structurally novel inhibitors.
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