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. 2021 Sep 23;2021:6015702. doi: 10.1155/2021/6015702

Table 3.

The result of core components docked with components.

Component Molecular formula CAS Binding energy (kJ/mol)
PTGS1 PTGS2 PPARG CHRM1 AR CALM1 ADRB2 JUN RELA TNF TP53 MAPK1 MAPK14 FOS
Stigmasterol C29H48O 83-48-7 −40.58 −43.51 −40.59 −38.91 −40.58 −43.51 −40.58 −31.80 −31.80 −31.80 −28.45 −35.56 −35.56 −35.98
Quercetin C15H10O7 117-39-5 −41.84 −39.33 −39.32 −41.84 −41.84 −39.33 −39.33 −27.20 −29.29 −33.05 −24.27 −34.73 −35.56 −43.51
Kaempferol C15H10O6 520-18-3 −43.93 −36.40 −34.72 −41.42 −43.93 −36.40 −34.73 −26.78 −29.71 −32.22 −26.78 −33.89 −34.31 −39.33
Beta-sitosterol C29H50O 83-46-5 −32.22 −30.12 −31.38 −29.71 −32.22 −30.12 −31.38 −31.38 −30.12 −29.71 −29.71 −33.89 −34.31 −32.64