Journal article
Carbonic anhydrase inhibitors. Part 24. A quantitative structure-activity relationship study of positively charged sulfonamide inhibitors
European Journal of Medicinal Chemistry, Vol.30(9), pp.687-696
1995
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.
Details
- Title
- Carbonic anhydrase inhibitors. Part 24. A quantitative structure-activity relationship study of positively charged sulfonamide inhibitors
- Authors/Creators
- C.T. Supuran (Author/Creator)B.W. Clare (Author/Creator)
- Publication Details
- European Journal of Medicinal Chemistry, Vol.30(9), pp.687-696
- Publisher
- Elsevier Masson SAS
- Identifiers
- 991005540573207891
- Copyright
- © 1995 Elsevier, Paris.
- Murdoch Affiliation
- School of Mathematical and Physical Sciences
- Language
- English
- Resource Type
- Journal article
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- Collaboration types
- Domestic collaboration
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- Citation topics
- 2 Chemistry
- 2.123 Protein Stucture, Folding & Modelling
- 2.123.1896 Carbonic Anhydrase Inhibitors
- Web Of Science research areas
- Chemistry, Medicinal
- ESI research areas
- Chemistry