Ecological Systems and Devices Annotation << Back MATHEMATICAL MODELING OF THE EFFECTS OF FLUTAMIDE AND LEVOMYCETIN N-ACETYLGALACTOSAMINE Z.Z. Abilova, L.I. Zharkikh, N.M. Alykov The quantum-chemical semiempirical method of PM3 with the use of programmatic complex Gamess is study power, geometrical and charge descriptions of forming of adsorption complexes at co-operating of levomicetine with a n-acetylgalactosamine. Formed and optimized cluster model of carbohydrate structural element of cellular membrane - n-acetylgalactosamine. The task of design of structural complexes of interactive matters is decided. Complete optimization of geometry of adsorption complexes is executed. Minimums of complete energy are found on all independent geometrical parameters of interactive molecules. On the basis of the got calculation descriptions of adsorption complexes, satisfying preset parameter, the chart of co-operation of levomicetinе is made with a n-acetylgalactosamine. The most credible reactionary centers of n-acetylgalactosamine are exposed, the attack of which levomicetinе would result in connections of sufficient durability. On the basis of the got results, a conclusion is done about formation of the most steady connections of reactive matters, in a kind formation of connections between the atoms of levomicetinе with the atoms of component of cellular membrane. Keywords: quantum-chemical modeling; levomycetin; n-acetylgalactosamine; energy; charge; bond; adsorption complex. Contacts: E-mail: overcome2002@mail.ru, E-mail: lesy_g@mail.ru Pp. 32-37.