Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
IC50, docking binding energies, hydrogen bonding, and the number of closest residues to the docked ligands in the active site of the selected quinoxaline derivatives 14, 15, 16, and 25 within the active binding site of thymidine phosphorylase.
| No. of Compound | Free Binding Energy (kcal/mol) | H-Bonds (HBs) | Number of Closest Residues to the Docked Ligand in The Active Site | IC50 ± SEM |
|---|---|---|---|---|
| 14 | −7.71 | 5 | 10 | 13.20 ± 0.40 |
| 15 | −7.61 | 3 | 8 | 15.20 ± 050 |
| 16 | −8.05 | 3 | 8 | 3.50 ± 0.20 |
| 25 | −8.25 | 4 | 8 | 3.20 ± 0.10 |
