Davronov R R
National University of Uzbekistan, Uzbekistan
Posters & Accepted Abstracts: Med chem
Diterpenoid alkaloids (DA) of different structural types, isolated from plant of the genus Aconitum, Delphinium and Consolida, - the most suitable candidates to find among them substance with antispasmodic action. We investigated spasmogenic activity of 82 compounds. C19 and C18 diterpenoid alkaloids have been investigated including types of aconitine, likoktonin, lappaconitin, lactone-containing alkaloids geteratizin type, C20 diterpenoid alkaloids napellin and denudatin types with their derivatives. Antispasmodic or spasmogenic effect of compounds studied in vitro experiments on isolated segments of the small intestine of rats and rabbits. The effect of DA on the smooth muscles of the small intestine of rats and rabbits can be divided into three groups:1) alkaloids, not significantly affecting the intestinal smooth muscle at concentrations up to 200mcM; 2) compounds having spazmogenic action, increase the tone, the frequency and amplitude of spontaneous contractions, and in high concentrations cause spasm of smooth muscle; 3) alkaloids having myotropic antispasmodic effect, and lowering the tone, reducing the amplitude and preventing and relieving spasms caused by barium chloride, acetylcholine, and the compounds of mezakonitin, aconitine types. We designed optimal predictive models for diterpenoid alkaloids of different structural types. We proved the positive effect of pre-clustering the original data set, although not all of the classes show a valid statistics. The work confirms two well-known position of the correct design of QSAR models: the linearity of the equation gives a better interpretability, and the high value of the standard statistics provides the predictive efficiency of the model.
Email: rifqat@rambler.ru
Medicinal Chemistry received 6627 citations as per Google Scholar report
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