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