Table 2 Binding energy (kcal/mol) of bio-molecules in E. thymifolia to 11β-HSD1, PTP1B, GFAT and SIRT6
From: An in silico study on antidiabetic activity of bioactive compounds in Euphorbia thymifolia Linn.
Family | Ligand | Binding energy (kcal/mol) | |||
|---|---|---|---|---|---|
11β-HSD1 (1XU7) | PTP1B (4Y14) | GFAT (2ZJ3) | SIRT6 (3K35) | ||
Control | NDP: −12.5 | C0A: −8.2 | AGP: −6.5 | APR: −11.0 | |
Flavonoid | Sample | ||||
Cosmosiin | −10.0 | −7.7 | −9.9 | −9.0 | |
Kaempferol | −9.1 | −7.4 | −7.7 | −8.1 | |
Quercetin | −9.7 | −7.8 | −7.6 | −8.3 | |
Quercetin-3-galactoside | −8.9 | −7.8 | −9.1 | −8.8 | |
Quercitrin | −9.4 | −7.9 | −9.0 | −9.3 | |
Tannin | Corilagin | −8.9 | −8.4 | −8.9 | −9.0 |
1-O-Galloyl-beta-d-glucose | −8.7 | −6.4 | −8.0 | −7.9 | |
Terpenoid | Euphorbol | −10.2 | −7.4 | −8.3 | −10.4 |
2-(4 methyl-3-cyclohexene-1-yl)-2-propanol | −6.0 | −6.1 | −5.4 | −6.9 | |
24 methylen cycloartenol | −11.1 | −7.9 | −7.9 | −9.0 | |
β-Amyrine | −11.6 | −8.2 | −9.0 | −10.9 | |
β-Sitosterol | −10.3 | −7.0 | −7.8 | −9.4 | |
Campesterol | −10.1 | −6.8 | −8.2 | −9.4 | |
Caryophyllene | −7.8 | −6.0 | −7.1 | −7.3 | |
Limonene | −5.5 | −5.6 | −4.8 | −6.3 | |
Phytol | −6.0 | −5.2 | −5.2 | −6.5 | |
Piperiterone | −5.7 | −6.2 | −5.4 | −5.8 | |
Safranal | −5.6 | −5.4 | −5.5 | −5.7 | |
Stigmasterol | −11.0 | −7.7 | −8.5 | −9.7 | |
Taraxerol | −12.1 | −8.4 | −8.9 | −11.5 | |