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Qualitative molecular docking of MAKV-8 against selected HDACs
| HDAC (PDB code) | MAKV-8 | SAHA |
|---|---|---|
| HDAC1 (4BKX) | − 6.7 | − 5.4 |
| HDAC2 (4LY1) | − 7.2 | − 6.7 |
| HDAC3 (4A69) | − 6.9 | − 6.5 |
| HDAC4 (2VQM) | − 7.7 | − 5.6 |
| HDAC6 (5EDU) | − 7.2 | − 6.1 |
| HDAC7 (3C10) | − 7.1 | − 6.0 |
| HDAC8 (3EW8) | − 7.0 | − 6.9 |
| Average | − 7.1 | − 6.2 |
Binding affinity energy values (kcal/mol) for the indicated Protein Data Bank (PDB) codes were calculated using AutoDock Vina program. SAHA was used as a reference HDACi
