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Carbonic anhydrase inhibitors. Part 24. A quantitative structure-activity relationship study of positively charged sulfonamide inhibitors

Supuran, C.T. and Clare, B.W. (1995) Carbonic anhydrase inhibitors. Part 24. A quantitative structure-activity relationship study of positively charged sulfonamide inhibitors. European Journal of Medicinal Chemistry, 30 (9). pp. 687-696.

Link to Published Version: http://dx.doi.org/10.1016/0223-5234(96)88286-9
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Abstract

A quantitative structure-activity relationship (QSAR) study is presented for 28 carbonic anhydrase inhibitors (CAIs), derivatives of tri-, tetra- and penta-substituted 1-(2-sulfonamido-1,3,4-thiadiazol-5-yl)pyridinium perchlorates. Several of these derivatives are new compounds and their synthesis and properties are also reported. The conclusion of the study is that activity is greatly modulated by electronic effects on the pyridinium ring. The most significant effects were enhancement of activity with increased positive charge on this ring, weakening of activity with increasing HOMO energy, and a dependence on anisotropic polarizability which may be attributable to London forces.

Publication Type: Journal Article
Murdoch Affiliation: School of Mathematical and Physical Sciences
Publisher: Elsevier Masson SAS
Copyright: © 1995 Elsevier, Paris.
URI: http://researchrepository.murdoch.edu.au/id/eprint/36019
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