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. 2022 Sep 26;2022:4758189. doi: 10.1155/2022/4758189

Table 7.

Basic information of representative molecular docking results.

Group Active component Target Residue Energy (kJ/mol) Docking distance (Å)
YGJ Orchinol ERBB2 ARG-182 -5.16 1.80
N-coumaroyltyramine EGFR ARG-681 -5.25 2.20
LEU-754 2.40
ALA-743 2.60
PRO-675 2.20
N-coumaroyltyramine MAP2K1 ASN-319 -5.14 2.10
PRO-323 2.20
LYS-344 2.20
N-coumaroyltyramine MAPK1 ASP-100 -5.09 2.00
LYS-99 2.20
ALA-9 2.20
(S)-p-Coumaroyloctopamine ERBB2 GLN-463 -5.53 1.70
PRO-504 2.10
ASN-509 2.20
ARG-435 2.20
TRP-500 2.40
(S)-p-Coumaroyloctopamine MAP2K1 ASP-190 -5.93 2.30
Melianone CCND1 THR-80 -5.11 2.10
ARG-5 2.30
Melianone MTOR THR-2143 -5.19 2.00
Melianone VEGFA CYS-61 -5.29 2.10

YGJ-BBB Bergaptin ERBB2 GLN-308 -5.78 2.00
Bergaptin MAP2K1 LEU-63 -5.55 2.10
Bergaptin MAPK1 LYS-138 -5.33 1.80
Ammidin ERBB2 GLN-299 -5.93 2.00
TYR-322 2.20
Ammidin MAP2K1 LYS-97 -5.06 2.20
Ruscogenin ESR1 TRP-393 -5.49 1.90
PRO-324 2.00
Ruscogenin ESR2 LYS-368 -5.28 2.00
GLU-291 2.60
Ruscogenin IGF1R GLU-1053 -5.32 2.20