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Information × Registration Number 0304U004091, 0103U004236 , R & D reports Title Physical Mechanisms of ionizing irradiation, Temperature and Hydration Effect on Macromolecules and Biomembranes popup.stage_title Вплив іонізуючого випромінювання на структуру та фізичні характеристики біомолекул та мембранних систем Head Maleev V.,Gatash S., Registration Date 20-03-2004 Organization Kharkov National University named after V.N.Karazin popup.description2 The object of investigation: DNA, biological active substances - caffeine and actinocin derivative, calf serum albumin. The purpose of work: The study on influence of ionizing radiation on structure and physical characteristics biological macromolecules and their interactions with biological active substances and water. Methods: Molecular dynamics, quantum chemical calculations, HF-dielectrometry. The basic results: Molecular dynamic simulation of the complexes of caffeine and new actinocin derivative with different DNA fragments has been carried out. The molecular models of caffeine and ActII intercalating in GC-site of oligonucleotide d(AGTC)2 and of outside drug binding in the minor groove of oligonucleotide d(GATAC)2 have been obtained. Energetic and structural characteristics of investigated systems have been also defined. It was shown that complexes of actinocin derivative with DNA are more structural and energetic preferable than DNA-caffeine complexes. The analysis of the changes in the firsthydration shells of interactive components after their complexation has been carried out. It has been found that the degree of destruction of the monohydrated shell of DNA double-helix after complexation is determined by the mode of ligand binding, its possibility to make the hydration bonds with water molecules and depends a little on linear sizes of ligands. The influence of ?-irradiation on soluble protein of plasma blood albumin has been investigated. Is established, that at an irradiation of solutions of calf serum albumin (CSA) by dozes 15 and 30 Gr the dependence eў, eІ and eS from concentration of protein has a nonlinear kind, which testifies to presence of intermolecular interactions of protein in a solution. An irradiation of protein solutions by a doze 15 Gr the hydration degree of CSA in an interval of concentration 20-80 mg/ml is less than the control. Product Description popup.authors popup.nrat_date 2020-04-02 Close