Structural modifications of salicylates: inhibitors of human CD81-receptor HCV-E2 interaction.

Archiv der Pharmazie (2008-07-12)
Marcel Holzer, Sigrid Ziegler, Alexander Neugebauer, Bernd Kronenberger, Christian D Klein, Rolf W Hartmann

Starting point of the present paper was the result of a virtual screening using the open conformation of the large extracellular loop (LEL) of the CD81-receptor (crystal structure: PDB-ID: 1G8Q). After benzyl salicylate had been experimentally validated to be a moderate inhibitor of the CD81-LEL-HCV-E2 interaction, further optimization was performed and heterocyclic-substituted benzyl salicylate derivatives were synthesized. The compounds were tested for their ability to inhibit the interaction of a fluorescence-labeled antibody to CD81-LEL using HUH7.5 cells. No compound showed an increase concerning the inhibition of the protein-protein interaction compared to benzyl salicylate.

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Benzyl salicylate, purum, ≥99.0% (GC)