Determination of Antitumor Activity of Molecular Iodine Complexes with Lithium Halogenides and Bioorganic Ligands when Applied in Combination with Doxorubicin

The anti-tumor efficacy of iodine-containing anti-infective drugs with bio-organic ligands and potassium and lithium halides (LiCl(I)-I2-a-dextrin-peptide) has been investigated experimentally. The combined action of the LiCl(I)-I2-a-dextrin-peptide complex drug and doxorubicin on the growth of Ehrlich ascites carcinoma (EAC) has been shown to significantly enhance doxorubicin’s antitumor function. Using the quantum-chemical approach at the level of DFT / B3PW91/6-31 G * * and MP2 / midi, it is shown that the enhancement effect of doxorubicin antitumor activity by lithium halogenide molecular iodine complexes and bio-organic ligands is caused by the formation of a structure in which the doxorubicin nucleotide pair is interlocked with the staking interaction of doxorubicin and bound by coordination with LiCl LiCl(I)-a-I2-dextrin complexes increase the stacking interaction of doxorubicin with the nucleotide pair in this structure and become the amino acid residue inhibition core of arginine that forms part of the active topo I site.

Author (s) Details

Gulnara A. Yuldasheva
Scientific Centre for Anti-Infectious Drugs, Kazakhstan.

Georgii M. Zhidomirov
Boreskov Institute of Catalysis SB RAS, Russia.

Aleksandr I. Ilin
Scientific Centre for Anti-Infectious Drugs, Kazakhstan.

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