FIG 1.

Structural analysis of active compounds identified after counterscreens. (A) The relatedness of compounds that inhibited MARV GP pseudotype infection by >80% at 50 μM was evaluated by determining the structural similarity using PubChem criteria and the relationship stringency based upon Tanimoto coefficients. Compounds with Tanimoto scores of >0.8 (high stringency) were considered related and are shown as nodes connected in each network. Seventeen compounds (black nodes) inhibited infection of both wild-type MARV and wild-type EBOV at a 50% effective concentration of less than 30 μM. Of the 17 compounds, 9 were available for more detailed study and are numbered. (B) Structures of the 9 compounds indicated by their PubChem identification numbers.