Toll-like receptors three (TLR3) signals the presence of a viral attack by binding to double stranded (ds) viral RNA and initiating an inflammatory response. It has been shown that high ethanol intake reduces the innate immunity to certain pathogens including viruses and that TLR3 is one of the enzymes affected by high ethanol concentrations. In this study use molecular dynamics (MD) simulations to determine the structural changes that TLR3 undergoes when ethanol binds to it. The MD simulations are based on the crystal structure PDB:3CIY, which shows a complex of a mouse TLR3 protein dimer with ds RNA. Docking studies of ethanol with the TLR3 monomer and complex revealed no special binding sites. Results of MD simulations of ethanol both with a TLR3 monomer and with the TLR3 � RNA complex will be presented.

Effects of ethanol on the toll-like receptor 3 - RNA complex: A molecular dynamics study

245th National Meeting (2013)

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