. 2021 Jun 17;67:102459. doi: 10.1016/j.amsu.2021.102459

Table 2.

Summary of docking results, 3D visualization and hydrogen binding site.

Protein Target	Substance with Strongest Binding Affinity	ΔG in Kcal/Mol (Ki in μM)	H Bound
TNF-alpha	Sanggenon C	−10,2 (0,03)	5 (Tyr151(A), Tyr119(B), Ser60(B), Ser60(B), Leu120(B))
NF-kB p50/p65	Sanggenon H	−9,8 (0,07)	2 (Arg246(A), da18(D))
ER-A	Epicryptoacetalide	−8,9 (0,30)	–
ER-B	Chrysin-7-O-β-d-glucopyranoside	−9,1 (0,21)	4 (Asn234(A), Glu260(A), Val293(A), Tyr352(A))
Progesterone Receptor B	Irilone	−10 (0,05)	1 (Tyr151(B))
PGE2 EP3	Polydatin	−10,7 (0,01)	8 (Thr206(A), Tyr114(A), Ser336(A), Ser336(A), Gln339(A), Gln339(A), Gly102(A), Thr136(A))
PGE2 EP2	Epicryptoacetalide	−7,8 (1.92)	–