Skip to main content
. 2024 Oct 5;10(21):e39006. doi: 10.1016/j.heliyon.2024.e39006

Table 4.

Binding energy (kcal/mol) of the components of BGZ and cAMP signaling pathway-associated proteins.

Compound Docking scores (kcal/mol)
EPAC (4MH0) PKA (4Z83) ERK (6G9N) IL-1β (5R88)
Bakuchalcone −8.16 −7.67 −8.61 −6.30
Bakuchicin −7.05 −6.31 −7.42 −5.30
Bakuchiol −4.09 −3.69 −4.57 −2.09
Bavachalcone −7.66 −5.93 −8.66 −5.46
Bavachinin −7.31 −4.20 −7.50 −4.75
Corylidin −5.81 −5.95 −6.34 −5.97
Corylinal −4.46 −6.39 −7.84 −5.57
Delphinidin −5.66 −5.74 −8.25 −5.54
Isobavachalcone −7.32 −5.81 −7.94 −5.43
Isoneobavachalcone −8.07 −6.53 −6.35 −5.64
Isopsoralen −6.83 −7.09 −6.85 −5.28
Neobavachalcone −8.11 −6.33 −6.27 −5.31
Neobavaisoflavone −4.98 −7.19 −8.14 −4.46
Psoralen −7.24 −7.08 −7.06 −5.20
Psoralenol −6.12 −8.19 −7.38 −5.42
Psoralidin −5.39 −5.79 −6.71 −5.35