In Silico Study of Plant Polyphenols' Interactions with VP24-Ebola Virus Membrane-associated Protein

Acta Chim Slov. 2015;62(3):555-64.

Abstract

The Zaire Ebola viral protein VP24 selectively inhibits nuclear import of STAT1 and as such blocks interferon-induced antiviral responses vital for cell's emergency. Inhibition of VP24 with small molecule inhibitor may neutralize the threatening action of Ebola virus. We performed molecular docking of compounds from a selected small library of plant polyphenols on to VP24. Our research shows that 1,2,3,6-tetragalloyl glucose, epigallocatechin gallate, chlorogenic acic, oleuropein and miquelianin represent promising leads for further studies.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Binding Sites
  • Cell Membrane / virology*
  • Ebolavirus*
  • Humans
  • Ligands
  • Molecular Docking Simulation*
  • Plants / chemistry*
  • Polyphenols / chemistry
  • Polyphenols / metabolism*
  • Protein Binding
  • Protein Conformation
  • Thermodynamics
  • Viral Proteins / chemistry
  • Viral Proteins / metabolism*
  • alpha Karyopherins / chemistry
  • alpha Karyopherins / metabolism

Substances

  • Ligands
  • Polyphenols
  • VP24 protein, Ebola virus
  • Viral Proteins
  • alpha Karyopherins
  • karyopherin alpha 5, human