Table 1.
Molecular docking analysis of the ligands caffeic acid, chlorogenic acid and kynurenic acid with target TOP1.
Compound-Protein | Interacting Amino Acid Residues | Final Intermolecular Energy |
---|---|---|
Caffeic acid | GLY496, GLU494, THR498, LYS493, THR501, VAL502 | −6.1 kcal/mol |
Chlorogenic acid | LYS284, GLU285, LEU373, ILE420, ASN419, THR417 | −6.4 kcal/mol |
Kynurenic acid | PRO229, AGR376 | −6.6 kcal/mol |
The table shows the list of interacting amino acids and binding energy.