Molecule
Number.

Phytochemical
 Name

Molecular
Formula

Docking Energy (ΔG) in kcal mol-1

Non-GA Docking

GA Docking

1

Abietane

C21H38

-12.90

-12.42

2

Abscisic acid

C15H20O4

-10.70

-9.55

3

Aconitine

C34H47NO11

*

-8.58

4

Aphidicolin

C22H36O5

-10.27

-11.10

5

Arjunolic acid

C30H48O5

-11.19

-12.09

6

Betulin

C30H50O2

-12.27

-12.77

7

Cannabinol

C21H26O2

-11.91

-13.71

8

Gingerol

C17H26O4

-10.97

-8.65

9

Ginsenoside

C30H52O2

-13.84

-12.10

10

Glaucarubin

C25H36O10

*

-9.24

11

Kaurane

C20H34

-12.35

-13.02

12

Labdane

C20H38

-12.30

-11.67

13

Limonene

C10H16

-10.65

-9.85

14

Lupeol

C31H52O

-13.49

-13.75

15

Lutein

C40H56O2

-15.72

-14.78

16

Lycopene

C40H56

*

-7.96

17

Maslinic acid

C30H48O4

-9.98

-11.32

18

Neurosporene

C40H58

*

-16.05

19

Oleanolic acid

C30H48O3

-11.02

-14.65

20

Phytofluene

C40H62

*

-10.61

21

Sapogenin

C30H50O3

-8.89

-13.02

22

Taraxosterol

C30H50O

-13.09

-12.60

23

Tetrahydrocannabinol

C21H30O2

-10.69

-12.75

24

Ursolic acid

C30H48O3

-12.89

-12.74

25

Zeaxanthin

C40H56O2

-17.20

-16.62

* Unable to dock.
Table 3: List of Observed Binding Energy of Terpene-Based Molecules with CDK2 Enzyme (PDB Ref. 2BHH).