title: Effect of organic ligands with conjugated π-bonds on the structure of iodine-α-dextrin complexes.
abstract: Using X-ray data for iodine-α-dextrin complexes and the results of quantum chemical ab initio restricted Hartree-Fock/3-21G(**)  level calculations, a model of drug active complex (AC) Armenicum with anti-HIV action was proposed. It was suggested that the drug AC contains molecular iodine allocated inside of α-dextrin helix and coordinated by lithium halogenides and a protein component of lymphocyte ribosomes. The electronic structure of I(2)  in this complex differs from its characteristics in complexes with organic ligands or the free I(2) . In the considered ACs, the molecular iodine displays acceptor (donor) properties toward the α-dextrins (lithium halogenides). A mechanism of Armenicum anti-HIV action is suggested. Under the influence of molecular iodine-containing drug AC, the structure of HIV DNA is modified-it becomes more π-donor-active against proteins and peptide nucleotides of viral DNA form a stable complex with molecular iodine and lithium halogenides.
authors.affiliation: Scientific Center for Anti-Infective Drugs, Almaty, Kazakhstan. yuldasheva57@rambler.ru
authors.forename: Gulnara A
authors.initials: GA
authors.lastname: Yuldasheva
authors.forename: Georgii M
authors.initials: GM
authors.lastname: Zhidomirov
authors.forename: Aleksandr I
authors.initials: AI
authors.lastname: Ilin
mesh_terms: D019380:Anti-HIV Agents / Q000737:chemistry* / Q000494:pharmacology; D004279:DNA, Viral / Q000737:chemistry / Q000187:drug effects; D003912:Dextrins / Q000737:chemistry*; D007455:Iodine / Q000737:chemistry*; D008024:Ligands; D015394:Molecular Structure; D009930:Organic Chemicals / Q000737:chemistry* / Q000494:pharmacology; D011789:Quantum Theory
chemical_list: D019380:Anti-HIV Agents; D004279:DNA, Viral; D003912:Dextrins; D008024:Ligands; D009930:Organic Chemicals; D007455:Iodine