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THEORETICAL STUDY OF DECOMPOSITION OF DIAZENIUMDIOLATES

Nitric oxide (NO) has become a molecule of interest in biological research. NO is generated via the oxidation of L-arginine, by NO synthase (NOS), and plays a key role in many bioregulatory systems, including smooth muscle relaxation, platelet inhibition, neurotransmission, and immune stimulation, primarily through the formation of cGMP. N-Diazeniumdiolates (NONOates) are an interesting class of compound that can deliver NO specifically to a target site, with potential biological or therapeutic value and minimal side effects. The versatility of NONOates makes them ideal for studying NO in many different scenarios. Primary amine diazeniumdiolates such as isopropyl amine (IPA/NO) can release HNO under physiological conditions.\\Quantitative Structure Activity/Property Relationships (QSAR/QSPR) relate the structure of a compound, to a property/activity of interest ( biological activity). QSAR/QSPR studies are of great importance in drug design. Model that predict the half-lives of NONOates was built and were studied the influence of each variable on decomposition rate. External validation of this model will be made using new set of NONOates to test the Model.

Identiferoai:union.ndltd.org:arizona.edu/oai:arizona.openrepository.com:10150/193432
Date January 2010
CreatorsBlanco-Ocampo, Alejandro
ContributorsMIRANDA, KATRINA M., MIRANDA, KATRINA M., MONTI, OLIVER L., MONTFORT, WILLIAM R.
PublisherThe University of Arizona.
Source SetsUniversity of Arizona
LanguageEnglish
Detected LanguageEnglish
Typetext, Electronic Thesis
RightsCopyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author.

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