Table 4.

Docking of main components of TSD with NF-κB

Chemical	Vina score	Cavity score	Center (x, y, z)	Size (x, y, z)
Native ligand	－5.6	408	7, 1, 6	25, 25, 25
Hydroxysafflor yellow	－6.1	408	7, 1, 6	25, 25, 25
Laetrile	－5.9	408	7, 1, 6	24, 24, 24
Verbascoside	－5.8	408	7, 1, 6	27, 27, 27
Paeoniflorin	－5.2	408	7, 1, 6	23, 23, 23
Gallic acid	－5.2	408	7, 1, 6	17, 17, 17
Oshaic lactone	－5.1	408	7, 1, 6	18, 18, 18
Ferulic acid	－4.7	408	7, 1, 6	19, 19, 19
5-hydroxymethyl furfuraldehyde	－4.4	408	7, 1, 6	16, 16, 16

Notes: TSD: Taohong Siwu decoction; NF-κB: nuclear factor-κB.