Structure of the Active Nanocomplex of Antiviral and Anti-Infectious Iodine-Containing Drug FS-1

Gulnara Abd-Rashidovna Yuldasheva,Assel Kurmanaliyeva,Aleksandr Ilin

doi:10.3390/quantum3040047

Abstract

Chromatographic analysis shows that the ionic nanostructured complex of the FS-1 drug contains nanocomplexes of α-dextrin with a size of ~40–48 Å. Based on good agreement between the UV spectra of the model structures and the experimental spectrum of the FS-1 drug, the structure of the active FS-1 nanocomplex is proposed. The structure of the active centers of the drug in the dextrin ring was calculated using the quantum-chemical approach DFT/B3PW91. The active centers, i.e., a complex of molecular iodine with lithium halide (I), a binuclear complex of magnesium and lithium containing molecular iodine, triiodide (II), and triiodide (III), are located inside the dextrin helix. The polypeptide outside the dextrin helix forms a hydrogen bond with dextrin in Complex I and coordinates the molecular iodine in Complex II. It is revealed that the active centers of the FS-1drug can be segregated from the dextrin helix and form complexes with DNA nucleotide triplets. The active centers of the FS-1 drug are only segregated on specific sections of DNA. The formation of a complex between the DNA nucleotide and the active center of FS-1 is a key stage in the mechanisms of anti-HIV, anti-coronavirus (Complex I) and antibacterial action (Complex II).

Highlights

Molecular iodine has a broad spectrum of antimicrobial and antiviral effects
A distinctive feature of the FS-1 drug is that its active substance includes an iodine-containing polymer complex and potassium, lithium and magnesium halides
In earlier papers [13,14], we showed that only DNA nucleotides can compete with polypeptides for complexation with molecular iodine, which is part of the active centers of the drug FS-1

Summary

Introduction

Molecular iodine has a broad spectrum of antimicrobial and antiviral effects. There are several groups of iodine preparations: (1) containing elemental iodine, (2) inorganic iodides, (3) organic substances—hormones, (4) organic substances eliminating iodine, (5) organic substances that firmly bind iodine.currently, all known molecular iodine containing medications are practically not used for parenteral administration, due to their high toxicity.A distinctive feature of the FS-1 drug is that its active substance includes an iodine-containing polymer complex (a molecular iodine complex with low molecular weight α-dextrins and peptides) and potassium, lithium and magnesium halides. In the composition of the FS-1 drug, molecular iodine is in such an active form that, when administered parenterally, it minimizes toxic effects in the human body [1]. Compounds of mobile equilibrium systems of iodine and its salts aqueous solutions with starch, amylase, amylopectin, and polyvinyl alcohol have been well studied. The advantages of such high-polymer iodine complexes as compared to the sulfonamides and antibiotics have been established—a wide spectrum of antimicrobial action both in vivo and in vitro, exclusion of the emergence of new resistant forms of microorganisms, low toxicity in combination with a high chemotherapeutic index and the effectiveness of short-term treatment [2,3]

Methods

Results

Conclusion