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. 2023 Jan 11;15(2):391. doi: 10.3390/polym15020391

Table 6.

Interaction of kaempferol and apigenin with Prostate Cancer (2Q7L) receptors.

Mol Ligand Receptor Interaction Distance E (kcal/mol)
Kaempferol O 23 O MET 745 (A) H-donor 2.90 −1.5
O 25 SD MET 780 (A) H-donor 3.78 −0.9
O 26 OG1 THR 877 (A) H-donor 3.00 −0.5
6-ring CB LEU 704 (A) pi-H 4.33 −0.5
6-ring CA ASN 705 (A) pi-H 4.47 −0.5
6-ring CD1 PHE 764 (A) pi-H 3.88 −0.5
Apigenin O 24 O MET 745 (A) H-donor 2.89 −1.6
O 26 SD MET 780 (A) H-donor 3.78 −1.1
O 27 OG1 THR 877 (A) H-donor 3.07 −0.5
6-ring CB LEU 704 (A) pi-H 4.36 −0.5
6-ring CA ASN 705 (A) pi-H 4.49 −0.5