Table 3.
Binding Affinity (Kcal/mol) of Hydrogen Bonds, Amino Acid Residues Pi Alkyl Bonds, Van der Waals forces After Docking of 5-[(naphthalen-2-yloxy) methyl]-1,3,4-oxadiaszole2-thiol (B3), Diazepam (DZM), and Flumazenil (FLZ) Against Gamma Amino Butyric Acid (GABA)
| Name | GABA (6D6T) | ||||||
|---|---|---|---|---|---|---|---|
| Binding Affinity | Hydrogen Bonds | Amino Acid Residues | Pi Alkyl Bonds | Amino Acid Residues | Van der Waals forces | Amino Acid Residues | |
| B3 | 6.3 | 2 | ASN 303 TRP 246 |
2 | TRP 304 | 6 | ASN 248, ARG 249, LEU 247, PHE 245, PHE 306, PHE 307 |
| DZM | 5.7 | 1 | THR 61 | – | – | 8 | ASN 54, ARG 136, ARG 187, GLU 59, GLY 51, PRO 52, SER 54, THR 134 |
| FLM | 5.3 | 2 | ASN 111 VAL 106 |
1 | PHE 105 | 7 | HIS 110, LYS 102, LYS 103, LYS 106, LYS 112, VAL 108, SER 104 |