Fig. 16.

In-silico specificity matrix based on eleven randomly chosen FDA approved drugs. Two-dimensional specificity matrix generated in-silico. Matrix was generated using binding affinity scores calculated from SYBYL-X Total Score- a robust scoring function. The gray diagonal line indicates binding between drugs and their therapeutic target- high binding scores should only occur along the diagonal line, if drugs are highly specific for their intended therapeutic target. Docking scores with FC101a (green row) do not exceed any scores along the gray line, possibly indicating that FC101a is specific for its unknown target(s). Four of the eleven drugs bind strongly to at least one non-target, indicative of low target specificity (red cells). Drugs 2, 3, 6, and 8–11 are specific to their respective targets