Skip to main content

Advertisement

Table 2 Docking results of compounds from Sigesbeckia glabrescens Makino (SG) with p105

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

Compound name Pubchem ID Affinity (kcal/mol) References
Daucosterol 5742590 − 7.4 [8]
3,7-Di-O-methylquercetin 5280417 − 7.1 [23]
Darutoside 44715524 − 6.8 [34]
NPDAQZUAWDTCIZ-UHFFFAOYSA-N 53462154 − 6.8 [34]
Darutigenol 3037565 − 6.7 [34]
β-Sitosterol 222284 − 6.6 [35]
8(14)-Pimarene-2,15,16,19-tetrol;(ent-2,15S)-form,16-Ac − 6.5 [36]
3-O-Methylquercetin 5280681 − 6.5 [23]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one − 6.5 [23]
Quercetin 3,4′-dimethyl ether 5380905 − 6.5 [23]
Kirenol 15736732 − 6.2 [8]
Ferulic acid 445858 − 5.6 [35]
Succinic acid (f) 1110 − 4.5 [35]
Heptacosanol (f) 74822 − 3.5 [35]
  1. f indicates that the compound failed to interact with the known receptor based on docking simulation