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Table 1 Docking results of compounds from Sigesbeckia glabrescens Makino (SG) with toll-like receptor 4 (TLR4)

From: Anti-inflammatory activities of Sigesbeckia glabrescens Makino: combined in vitro and in silico investigations

Compound name Pubchem_ID Affinity (kcal/mol) References
Darutoside 44715524 − 8.9 [34]
3,7-Di-O-methylquercetin 5280417 − 8.2 [23]
Daucosterol 5742590 − 8.1 [8]
3-O-Methylquercetin 5280681 − 8 [23]
β-Sitosterol 222284 − 7.8 [35]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one − 7.7 [23]
Quercetin 3,4′-dimethyl ether 5380905 − 7.6 [23]
NPDAQZUAWDTCIZ-UHFFFAOYSA-N 53462154 − 7.5 [34]
Darutigenol 3037565 − 7.4 [34]
8(14)-Pimarene-2,15,16,19-tetrol;(ent-2,15S)-form,16-Ac − 7 [36]
Kirenol (f) 15736732 − 6.8 [8]
Ferulic acid (f) 445858 − 5.7 [35]
Succinic acid (f) 1110 − 4.5 [35]
Heptacosanol (f) 74822 − 4 [35]
  1. f indicates that the compound failed to interact with the known receptor based on docking simulation