Abstract
The antiviral mechanism of action of the polysulfonated azo-dyes is discussed in this paper. Crucial to the antiviral activity of these dyes is the inhibition of the HIV entry into the host cell. This is a result of the covering strategic areas of the CD4 viral receptor surface. A consistent, mainly electrostatic, interaction model has been established to explain the mode of inhibition activity of Direct Red 79 and Direct Yellow 50. The basis of the model is a dynamic distance matrix of the most important positively charged amino acid side chains within the CD4, which might serve as an electrostatic docking site for the negatively charged sulfonate groups of the azo-dyes. Beside the intrinsic value of interpreting the biological effect, this model might serve as a useful tool for a rational drug design.
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