Molecular docking study of oligonucleotides with D-mannitol

  • V. Shchodryi Institute of molecular biology and genetics NASU, Ukraine, 03143, Kyiv, 150 Zabolotnogo street
  • D. Lozhko Institute of molecular biology and genetics NASU, Ukraine, 03143, Kyiv, 150 Zabolotnogo street
  • Z. Tkachuk Institute of molecular biology and genetics NASU, Ukraine, 03143, Kyiv, 150 Zabolotnogo street


Aim. Complex of yeast RNA and D-mannitol has a specific antiviral activity. This complex inhibits the
neuraminidase and hemagglutinin activity of viruses such as influenza, parainfluenza and thus it blocks virus entry into the cell and his replication. So, nowadays, study of the interaction of this compound is an important task. Study interaction of the oligoribonucleotides and oligodesoxynucleotides with D mannitol molecule. Methods. Molecular modeling structure of oligoribonucleotides and oligodesoxynucleotides were done by using «Hyperchem» software package. The AutoDock program was used to perform accuracy molecular docking. Results. Were obtained binding energies of D-mannitol molecule with oligoribonucleotides and oligodesoxynucleotides. We have shown the possible connections between atoms of oligonucleotides and D-mannitol molecule. Conclusions. The modeling results should give more detailed information about nature of the oligonucleotides binding with a shugar alcohol D-mannitol.

Keywords: molecular docking, oligonucleotides, D-mannitol, binding energies.


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