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. 2023 May 25;26:11225. doi: 10.3389/jpps.2023.11225

TABLE 3.

Docking results of five bioactive ingredients from RPD for IBS and UC targets.

Ingredients structure Binding energy (kcal/mol)
JUN TP53 MAPK1 RELA MYC ESR1
1a02 1gzh 6g54 2vge 5i50 3os8
Quercetin graphic file with name JPPS_jpps-2023-11225_wc_tfx1.jpg −8.2 −7.2 −8.5 −6.8 −8.5 −8.3
aloe-emodin graphic file with name JPPS_jpps-2023-11225_wc_tfx2.jpg −9.4 −7.2 −8.7 −6.7 −8.9 −8.4
Kaempferol graphic file with name JPPS_jpps-2023-11225_wc_tfx3.jpg −9.4 −7.0 −8.4 −6.8 −8.3 −8.4
beta-sitosterol graphic file with name JPPS_jpps-2023-11225_wc_tfx4.jpg −7.4 −7.1 −8.7 −7.0 −7.9 −7.5
(+)-catechin graphic file with name JPPS_jpps-2023-11225_wc_tfx5.jpg −7.1 −7.3 −7.5 −6.8 −9.6 −7.1