Table 2 The docking results of top-ranked 5 compounds towards HDAC3
Compound | Docking score (kcal/mol) | H-Bond interactions | Hydrophobic interactions |
|---|---|---|---|
Kanzonol B | − 8.8 | GLY132, HIS134, ASP170 | LEU133, PHE144, PHE200, LEU266 |
Rivularin | − 6.7 | HIS134, HIS135, HIS172, TYR298 | PHE144, CYS145, PHE200, LEU266 |
Liquiritin | − 6.5 | HIS134, ASP170, HIS172 | PHE144, LEU266 |
Calycosin | − 6.3 | HIS134, ASP170 | PHE144, CYS145, PHE200, LEU266, TYR298 |
Glypallichalcone | − 6.3 | HIS172 | LEU133, PHE144, CYS145, PHE200 |