Skip to main content
. 2021 Dec 18;26(24):7676. doi: 10.3390/molecules26247676

Table 4.

Binding energy and binding affinity were calculated of 10 selected compounds having a reference substrate molecule (α-D-glucose) with the α-glucosidase protein active site.

S. No Name CID Energies = Kcal/mol
Docking Score Binding Energy Binding Affinity
1 Dodecanoic acid, ethyl ester 7800 −6.27 −39.87 −8.33
2 Linoleic acid ethyl ester 5,282,184 −5.89 −50.55 −9.74
3 Hexadecanoic acid, methyl ester 8181 −5.28 −41.29 −8.88
4 Isopropyl myristate 8042 −4.82 −41.10 −9.1
5 Methyl tetradecanoate 31,284 −4.73 −38.65 −8.64
6 Hexahydrofarnesyl acetone 10,408 −4.45 −40.55 −9.2
7 Myristic acid, ethyl ester 31,283 −4.22 −40.40 −8.68
8 Pentadecanoic acid, ethyl ester 38,762 −4.01 −43.75 −8.76
9 Thymol 6989 −3.61 −25.49 −6.39
10 Isopropyl palmitate 8907 −3.19 −47.79 −9.81
11 α-D-glucose 7,9025 −3.66 −33.49 −6.35