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. 2022 Aug 10;23(16):8894. doi: 10.3390/ijms23168894

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.