Table 2.

Docking of main components of TSD with TLR4

Chemical	Vina score	Cavity score	Center (x, y, z)	Size (x, y, z)
Native ligand	－5.7	254	0, 2, 16	21, 21, 21
Paeoniflorin	－6.7	254	0, 2, 16	23, 23, 23
Verbascoside	－6.6	254	0, 2, 16	27, 27, 27
Laetrile	－5.6	254	0, 2, 16	24, 24, 24
Hydroxysafflor yellow	－5.3	254	0, 2, 16	25, 25, 25
Ferulic acid	－5.0	254	0, 2, 16	19, 19, 19
Oshaic lactone	－5.0	254	0, 2, 16	18, 18, 18
Gallic acid	－4.9	254	0, 2, 16	17, 17, 17
5-hydroxymethyl furfuraldehyde	－4.1	254	0, 2, 16	16, 16, 16

Notes: TSD: Taohong Siwu decoction; TLR4: toll-like receptor 4.