Figure 1.

The Computational Analysis of Novel Drug Opportunities (CANDO) platform as applied to five Ebola proteomes. (A) General version of the platform used to determine drug behavior and similarity by performing a virtual screen to predict interactions between “all” known drugs and “all” protein structures; (B) CANDO platform as applied to Ebola, where the known drugs are docked to structures of five Ebola proteomes to identify the strongest multitarget inhibitors. Credit: Vignettes derived from Protein Data Bank (PDB) structures depicting Ebola virus glycoprotein, matrix protein, nucleoprotein, and nucleocapsid proteins (PDB identifiers 3csy, 4ldd, 4qb0 and 2i8b, 3vne, 3fke respectively).