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. 2023 Dec 9;61(1):1512–1524. doi: 10.1080/13880209.2023.2287658

Table 3.

The binding energy of the compounds and core targets (kcal/mol).

Target Target (PDB ID) Target structure Compound Affinity (kcal/mol)
ALB 1N5U graphic file with name IPHB_A_2287658_ILG0001_C.jpg Quercetin −8.1
Kaempferol −7.0
Licochalcone A −8.0
Naringenin −8.5
6,7-Dimethoxy-2-(2-phenylethyl) chromone −9.6
AKT1 1H10 graphic file with name IPHB_A_2287658_ILG0002_C.jpg Quercetin −6.1
Kaempferol −6.0
Licochalcone A −6.3
Naringenin −6.1
6,7-Dimethoxy-2-(2-phenylethyl) chromone −6.2
INS 1HTV graphic file with name IPHB_A_2287658_ILG0003_C.jpg Quercetin −7.9
Kaempferol −5.8
Licochalcone A −6.6
Naringenin −7.8
6,7-Dimethoxy-2-(2-phenylethyl) chromone −8.6
TNF 1TNF graphic file with name IPHB_A_2287658_ILG0004_C.jpg Quercetin −6.3
Kaempferol −6.4
Licochalcone A −5.5
Naringenin −6.8
6,7-Dimethoxy-2-(2-phenylethyl) chromone −5.4
IL6 7NXZ graphic file with name IPHB_A_2287658_ILG0005_C.jpg Quercetin −6.4
Kaempferol −6.8
Licochalcone A −5.2
Naringenin −5.3
6,7-Dimethoxy-2-(2-phenylethyl) chromone −5.4