Program

P.1 -- Poster, IWTCP-3

Date: Wednesday, 29 July 2015

Time: 08h30 - 10h00

Studies on interactions between Ebola viral protein 35 and dsRNA using steered molecular dynamics approach

Ngan Q. Nguyen (1), Chuong Nguyen (2,3,*)

(1) Department of Theoretical Physics, Faculty of Physics and Engineering Physics, University of Science, Vietnam National University, Ho Chi Minh City, Vietnam; (2) Theoretical Physics Research Group, Department for Management of Science and Technology Development, Ton Duc Thang University, Ho Chi Minh City, Vietnam; (3) Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam. (*) Corresponding Author: Chuong Nguyen, nguyenhahungchuong@tdt.edu.vn.

Ebola virus causes acute hemorrhagic fever which is often fatal if untreated. Viral protein 35 (VP35) of Ebola virus has different functions in viral replication. One of those roles is acting as an interferon (IFN) antagonism, result in attenuation of the immune system. The ability of VP35 to bind double-stranded RNA (dsRNA) has been suggested to be crucial for its function. Recent crystal structures of VP35 have shown several residues which are important for protein-RNA binding. We have conducted steered molecular dynamics (SMD) simulations for wild-type also for different mutants of VP35 binding to dsRNA crystal structures to analyse molecular VP35-dsRNA interaction. Our result shows that residues R312 and K339 contribute main factor in the interaction. These results are consistent with ITC experimental studies for VP35-dsRNA complex.

Presenter: Nguyen Quy Ngan