Journal article
Carbonic anhydrase activators. 3: Structure‐activity correlations for a series of isozyme II activators
Journal of Pharmaceutical Sciences, Vol.83(6), pp.768-773
1994
Abstract
A quantitative structure‐activity relationship for some arylalkylamine and arylalkylamino acid activators of carbonic anhydrase, of diverse chemical structure, is presented. A number of descriptors were calculated by the complete neglect of differential overlap (CNDO/2) method, and related to biological activity by regression analysis and partial least squares. Both charge, in the form of the charge of the most highly charged atom in the molecule, and size, in the form of the smallest dimensions of the molecule, are shown to be important descriptors. It is shown that molecules bearing highly charged oxygen or nitrogen atoms tend to have high activity, and that the enzyme can accommodate molecules of only a limited size.
Details
- Title
- Carbonic anhydrase activators. 3: Structure‐activity correlations for a series of isozyme II activators
- Authors/Creators
- B.W. Clare (Author/Creator) - Murdoch UniversityC.T. Supuran (Author/Creator) - University of Bucharest
- Publication Details
- Journal of Pharmaceutical Sciences, Vol.83(6), pp.768-773
- Publisher
- John Wiley and Sons Inc.
- Identifiers
- 991005542606207891
- Copyright
- © 1994 Wiley‐Liss, Inc.,
- Murdoch Affiliation
- School of Mathematical and Physical Sciences
- Language
- English
- Resource Type
- Journal article
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Source: InCites
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- Collaboration types
- Domestic collaboration
- International collaboration
- Citation topics
- 2 Chemistry
- 2.123 Protein Stucture, Folding & Modelling
- 2.123.1896 Carbonic Anhydrase Inhibitors
- Web Of Science research areas
- Chemistry, Medicinal
- Chemistry, Multidisciplinary
- Pharmacology & Pharmacy
- ESI research areas
- Pharmacology & Toxicology