3D Molecular Modelling Study of the H7N9 RNA-Dependent RNA Polymerase as an Emerging Pharmacological Target. (25th September 2013)

• Record Type: Journal Article
• Authors: Vlachakis, Dimitrios; Karozou, Argiro; Kossida, Sophia
• Other Names: Auewarakul Prasert Academic Editor.
• Is Part Of: Influenza research and treatment. Volume 2013(2013)
• Publication Date: 2013-09-25
• Subjects: Influenza -- Periodicals; Influenza, Human; Virus Diseases; Viruses; Influenza; Electronic journals; Periodical; Electronic journals; Periodicals; 616.203
• DOI: 10.1155/2013/645348
• Languages: English
• ISSNs: 2090-1380

Abstract

Abstract : Currently not much is known about the H7N9 strain, and this is the major drawback for a scientific strategy to tackle this virus. Herein, the 3D complex structure of the H7N9 RNA-dependent RNA polymerase has been established using a repertoire of molecular modelling techniques including homology modelling, molecular docking, and molecular dynamics simulations. Strikingly, it was found that the oligonucleotide cleft and tunnel in the H7N9 RNA-dependent RNA polymerase are structurally very similar to the corresponding region on the hepatitis C virus RNA-dependent RNA polymerase crystal structure. A direct comparison and a 3D postdynamics analysis of the 3D complex of the H7N9 RNA-dependent RNA polymerase provide invaluable clues and insight regarding the role and mode of action of a series of interacting residues on the latter enzyme. Our study provides a novel and efficiently intergraded platform with structural insights for the H7N9 RNA-dependent RNA Polymerase. We propose that future use and exploitation of these insights may prove invaluable in the fight against this lethal, ongoing epidemic.