Quantitative Structure-Activity Relationship (QSAR) Studies on a Series of 1,3,4-thiadiazole-2-thione Derivatives as Tumor-Associated Carbonic Anhydrase IX Inhibitors

Faculty of Pharmacy

Assiut University

Quantitative Structure-Activity Relationship (QSAR) Studies
on a Series of 1,3,4-thiadiazole-2-thione Derivatives as
Tumor-Associated Carbonic Anhydrase IX Inhibitors

Research Authors
Mohammed K. Abdel-Hamid, Atef A. Abdel-Hafez, Nawal A. El-
Koussi, Nadia M. Mahfouz
Research Department
Department of Medicinal Chemistry
Research Journal
Journal of Enzyme Inhibition and Medicinal Chemistry
Research Publisher
Taylor & Francis Group
Research Rank
1
Research Vol
vol. 24 - No. 3
Research Website
NULL
Research Year
2009
Research Member
Nadia Mohamed Ahmed Mahfouz
Research 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.