Skip to main content

Advertisement

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