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Ecological Systems and Devices Annotation << Back
MATHEMATICAL MODELING
OF THE EFFECTS OF FLUTAMIDE
AND LEVOMYCETIN PHOSPHOLIPIDS |
Z.Z. Abilova C.I. Ramazanova 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 fl utamide with a phosphotide and levomicetine
with a phosphotide. Formed and optimized cluster model of lipidnogo structural element of cellular membrane -
phosphotide. 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 fl utamida is made with a phosphotide and levomicetina is made with a phosphotide. The most
credible reactionary centers of phosphotide are exposed, the attack of which fl utamidom and levomicetinom would result in
connections of suffi cient 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 fl utamida and levomicetina with
the atoms of component of cellular membrane.
Keywords: quantum-chemical modeling, fl utamide, levomycetin, phospholipid, energy, charge, bond, adsorption complex.
Contacts: E-mail: overcome2002@mail.ru, E-mail: lesy_g@mail.ru
Pp. 21-27. |
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