Figure 10.

Molecular docking results for FDA-approved drugs against histone deacetylase 6. (A) Docking scores for 43 FDA-approved antineoplastic drugs. (B) Docking scores for 5 FDA-approved drugs with experimental inhibition data in ChEMBL. All docking scores are shown in folds compared to the corresponding SDA for each structure. Scores lower than 0 are manipulated to 0 for figure generating. Sybyl 8.0 software sometimes generates negative scores for some compounds during the docking process. But the number of such compounds is small enough and can be ignored.