Table 3. The docking of the core targets with active compounds.
Molecule ID | Target | PDB ID | Binding energy (kcal/mol) |
---|---|---|---|
MOL008998 | CREBBP | 7JFM | −8.6 |
MOL000953 | CREBBP | −7.3 | |
MOL000358 | CREBBP | −7.8 | |
MOL001645 | CREBBP | −4.3 | |
MOL011169 | CREBBP | −7.7 | |
MOL001439 | CREBBP | −4.7 | |
MOL008999 | CREBBP | −5.9 | |
MOL001645 | EP300 | 6V90 | −3.8 |
MOL008999 | EP300 | −5.6 | |
MOL000953 | EGF | 3NJP | −4.4 |
MOL000358 | EGF | −6.7 | |
MOL008998 | CAT | 1QQW | −9.2 |
MOL000953 | CAT | −6.2 | |
MOL001645 | CAT | −2.6 | |
MOL011169 | CAT | −4.1 | |
MOL001439 | CAT | −2.8 | |
MOL008999 | CAT | −6.3 |
PDB, Protein Data Bank; CREBBP, CREB binding protein; EP300, E1A binding protein P300; EGF, epidermal growth factor; CAT, catalase.