title: In Silico Study of Plant Polyphenols' Interactions with VP24-Ebola Virus Membrane-associated Protein.
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.
authors.forename: Sebastian
authors.initials: S
authors.lastname: Pleško
authors.forename: Helena
authors.initials: H
authors.lastname: Volk
authors.forename: Miha
authors.initials: M
authors.lastname: Lukšič
authors.forename: Črtomir
authors.initials: Č
authors.lastname: Podlipnik
mesh_terms: D001665:Binding Sites; D002462:Cell Membrane / Q000821:virology*; D029043:Ebolavirus; D006801:Humans; D008024:Ligands; D062105:Molecular Docking Simulation; D010944:Plants / Q000737:chemistry*; D059808:Polyphenols / Q000737:chemistry / Q000378:metabolism*; D011485:Protein Binding; D011487:Protein Conformation; D013816:Thermodynamics; D014764:Viral Proteins / Q000737:chemistry / Q000378:metabolism*; D028901:alpha Karyopherins / Q000737:chemistry / Q000378:metabolism
chemical_list: C000596544:KPNA5 protein, human; D008024:Ligands; D059808:Polyphenols; C446938:VP24 protein, Ebola virus; D014764:Viral Proteins; D028901:alpha Karyopherins