Table 7 Different binding patterns of 22 hit compounds
From: Virtual screening and experimental validation of novel histone deacetylase inhibitors
Binding patterns | Hit names | Interaction types | Pharmacophore interaction regions |
|---|---|---|---|
1 | ZINC01895726, ZINC02639234, ZINC06178852, ZINC23140995, ZINC23141716, ZINC23143331, ZINC23886004, ZINC58161863, ZINC60063267, ZINC67907864, ZINC84111476 | metal chelate bonds and hydrogen bonds | ZBG domain |
2 | ZINC03307410, ZINC06415107, ZINC06497704, ZINC09350495, ZINC12555961, ZINC23141899 | metal chelate bonds and hydrogen bonds | ZBG domain and linker domain |
3 | ZINC11325463 | metal chelate bonds and hydrogen bonds | ZBG domain and cap group domain |
4 | ZINC03260906, ZINC09715944 | metal chelate bonds and hydrogen bonds | ZBG domain, linker domain and cap group domain |
5 | ZINC02627831, ZINC12581173 | hydrogen bonds | ZBG domain or linker domain |