Table 3.

Docking results of compounds from Sigesbeckia glabrescens Makino (SG) with p65

Name	Pubchem_ID	Affinity (kcal/mol)	References
NPDAQZUAWDTCIZ-UHFFFAOYSA-N	53462154	− 7.3	[34]
Daucosterol	5742590	− 7.2	[8]
Quercetin 3,4′-dimethyl ether	5380905	− 7.2	[23]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one	–	− 7	[23]
3,7-Di-O-methylquercetin	5280417	− 6.8	[23]
β-Sitosterol	222284	− 6.7	[35]
Darutoside	44715524	− 6.7	[34]
8(14)-Pimarene-2,15,16,19-tetrol;(ent-2,15S)-form,16-Ac	–	− 6.7	[36]
3-O-Methylquercetin	5280681	− 6.7	[23]
Darutigenol	3037565	− 6.3	[34]
Kirenol	15736732	− 6.2	[8]
Ferulic acid (f)	445858	− 5.7	[35]
Succinic acid (f)	1110	− 4.6	[35]
Heptacosanol (f)	74822	− 3.7	[35]

f indicates that the compound failed to interact with the known receptor based on docking simulation