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. 2021 Nov 10;9(11):1654. doi: 10.3390/biomedicines9111654

Table 6.

MolDock score and interacting residues of 1, 2, and 3 to human alpha-estrogen receptor (3ERT).

Ligands MolDock Score (kcal/mol) Hydrogen Bonding Steric Interaction Electrostatic Interaction
1 −144.638 ± 1.41 Thr347 Asp351 (3); Leu539 (2); Ala350; Met343; Leu354; Thr347; Leu525; Met522
2 −139.590 ± 0.37 Val534 (2) Leu525 (4); Trp383 (4); Thr347; Leu346; Asp351; Leu539; Leu536; Met528
3 −162.832 ± 2.24 Thr347 Thr347 (2); Ala350; Asp351; Leu354; Leu525; Met522; Met528
4-hydroxtamoxifen −165.042 ± 0,48 Arg394; Glu353 Ala350 Asp351