Table 10.
Protein–ligand binding energies of known medicines and four DKC ligands were compared using MVD with two distinct PDB IDs
3ERT | 3S79 | ||||||
---|---|---|---|---|---|---|---|
Ligand | Energy, kcal/mol or MolDock score | Existing drug | Energy, kcal/mol or MolDock score | Ligand | Energy, kcal/mol or MolDock score | Existing drugs | Energy, kcal/mol or MolDock score |
DKC-1 | −125.271 | Tamoxifen | −131.909 | DKC-1 | −98.215 | Anastrozole | −107.965 |
DKC-10 | −204.461 | DKC-10 | −201.613 | Exemestane | −92.7947 | ||
DKC-20 | −177.278 | DKC-20 | −131.397 | Letrozole | −108.904 | ||
DKC-21 | −161.958 | DKC-21 | −123.724 |