BINDING BETWEEN THE CD4 RECEPTOR AND POLYSULFONATED AZO-DYES - AN EXPLORATORY THEORETICAL-STUDY ON ACTION-MECHANISM

The antiviral mechanism of action of the polysulfonated ate-dyes is di scussed 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 resu lt of the covering strategic areas of the CD4 viral receptor surface. A consistent, mainly electrostatic, interaction model has been establi shed to explain the mode of inhibition activity of Direct Red 79 and D irect Yellow 50, The basis of the model is a dynamic distance matrix o f the most important positively charged amino acid side chains within the CD4, which might serve as an electrostatic docking site for the ne gatively charged sulfonate groups of the ate-dyes. Beside the intrinsi c value of interpreting the biological effect, this model might serve as a useful tool for a rational drug design. Published by Elsevier Sci ence B.V.