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Publication Details
AFRICAN RESEARCH NEXUS
SHINING A SPOTLIGHT ON AFRICAN RESEARCH
biochemistry, genetics and molecular biology
Design, synthesis, and docking studies of new 1,3,4-thiadiazole-2-thione derivatives with carbonic anhydrase inhibitory activity
Bioorganic and Medicinal Chemistry, Volume 15, No. 22, Year 2007
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Description
A new series of 1,3,4-thiadiazole-2-thione derivatives have been prepared and assayed for the inhibition of three physiologically relevant carbonic anhydrase (CA, EC 4.2.1.1) isozymes, the cytosolic human isozymes I and II, and the transmembrane, tumor-associated hCA IX. Against hCA I the investigated thiones, showed inhibition constants in the range of 2.55-222 μM, against hCA II in the range of 2.0-433 μM, and against hCA IX in the range of 1.25-148 μM. Compound 5c, 4-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-1-(5-nitro-2-oxoindolin-3 -ylidene)semicarbazide showed interesting inhibition of the tumor-associated hCA IX with KI value of 1.25 μM, being the first non-sulfonamide type inhibitor of such activity. This result is rather important taking into consideration the known antitumor activity of thiones. In addition, docking of the tested compounds into CA II active site was performed in order to predict the affinity and orientation of these compounds at the isozyme active site. The results showed similar orientation of the target compounds at CA II active site compared with reported sulfonamide type CAIs with the thione group acting as a zinc-binding moiety. © 2007 Elsevier Ltd. All rights reserved.
Authors & Co-Authors
Abdel-Hamid, Mohammed K.
Egypt, Asyut
Faculty of Pharmacy
Abdel-Hafez, Atef Monem
Egypt, Asyut
Faculty of Pharmacy
El-Koussi, Nawal A.
Egypt, Asyut
Faculty of Pharmacy
Mahfouz, Nadia M.A.
Egypt, Asyut
Faculty of Pharmacy
Innocenti, Alessio
Italy, Florence
Università Degli Studi Di Firenze
Supuran, Claudiu T.
Italy, Florence
Università Degli Studi Di Firenze
Statistics
Citations: 75
Authors: 6
Affiliations: 2
Identifiers
Doi:
10.1016/j.bmc.2007.07.044
ISSN:
09680896
Research Areas
Cancer