Table 3.
Docking results of 4a-c docked into urease protein (PDB: 2QV3) from Helicobacter pylori.
Ligand | S (kcal/mol) | Type of interaction | Ligand - Receptor | Distance (Ao) |
---|---|---|---|---|
4a | −5.3862 | H-donor | S41 - ASN 666 | 3.55 |
pi-H | 5-ring - ASN 810 | 4.18 | ||
4b | −5.5621 | H-donor | S44 - ASN 666 | 4.01 |
pi-H | 5-ring - ASN 810 | 4.19 | ||
4c | −5.7368 | pi-H | 6-ring - SER 714 | 3.46 |
pi-H | 5-ring - ASN 810 | 4.34 | ||
Lansoprazole | −5.3629 | pi- H | 6-ring - ASN 711 | 4.27 |