Quantitative structure-activity relationship (QSAR) studies on a series of 1,3,4-thiadiazole-2-thione derivatives as tumor-associated carbonic anhydrase IX inhibitors

Journal of Enzyme Inhibition and Medicinal Chemistry
Mohammed K Abdel-HamidNadia M Mahfouz

Abstract

A linear quantitative structure-activity relationship (QSAR) study that encodes various aspects of physicochemical, topological and electronic descriptors has been developed for a series of 1,3,4-thiadiazole-2-thione derivatives (1a-r and 2a-c). The carbonic anhydrase IX inhibitory activity of the candidates under study (1a-r and 2a-c) were correlated to the selected parameters using stepwise linear regression analyses to achieve the best QSAR model. Promising results were obtained with the employed tetra-parametric model indicating that the information approach used in the present investigation is quite useful for modeling carbonic anhydrase IX inhibitors.

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Citations

Mar 29, 2014·Journal of Enzyme Inhibition and Medicinal Chemistry·Mehlika Dilek AltintopZafer Asim Kaplancikli
May 22, 2021·Computers in Biology and Medicine·Ahmed Adebayo IsholaSubhash Chandra

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