TITLE:
A quantum-chemical model of the inhibition mechanismof viral DNA HIV-1 replication by Iodine complexcompounds
AUTHORS:
Gulnara A. Yuldasheva, Georgii M. Zhidomirov, Aleksandr I. Ilin
KEYWORDS:
HIV; Integrase HIV; Quantum-Chemical Method Ab Initio
JOURNAL NAME:
Natural Science,
Vol.3 No.7,
July
27,
2011
ABSTRACT: The interaction of molecular iodine with virus DNA nucleotide is studied by ab initio RHF/3-21G** method. Formation of the nucleoprotein complex of the HIV DNA, molecular iodine and the HIV-1 integrase co-factor is considered to cause the inhibition action of the integrase enzyme. Experimental data on the anti-HIV effect of the molecular iodine complex compounds and the results of calculations suggest that molecular iodine contained in iodine polymer complexes may be considered as a compound inhibiting the catalytic center of the integrase enzyme. Unlike the known integrase inhibitors, molecular iodine also changes the virus DNA structure and produces the N-I bond in the purine bases of adenosine and guanosine nucleotides.