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. 2021 Aug 20;29(2):311–320. doi: 10.1007/s40199-021-00408-6

Table 1.

The table represents the binding energies in kcal/mol of phytocompounds from Albiziaamara and Phyla nodifloraupon docking with COX-2 enzyme using Autodockvina

Source Compound Binding Energy (kcal/mol)
Albizia amara Methyl-2-O- Methyl.Beta. L- Arabinopyranoside -5.2
Phytol -6
1-Octen-3-Yl-N- Propionate -5.1
Propane-1,1-Diol Diacetate -5.5
Methyl 2- Hydroxy- Octadeca-9,12,15- Trienoate -6
Methyl 8,11,14- Heptadecatrienoate -5.5
Squalene -7.7
(3. Alpha.)- 12- Oleanen-3-Yl Acetate -7.2
Phyla nodiflora Trans,Trans-Muconic Acid -5.3
Cyclohexanone, 2-(1-Methyl-2-Oxopropyl)- -5.2
1H-Imidazole, 2-(Diethoxymethyl)- -4.7
Trans,Cis-1,7-Dimethylspiro[4.5]Decane -6.1
1,6-Anhydro-.Alpha.-D-Galactofuranose -5.6
Emylcamate -4.6
Benzene, 1,1'-[1,4-Butanediylbis(Oxymethylene)]Bis- -6.8
Oxalic Acid, CyclobutylPentadecyl Ester -5.8
Ethyl 9,12,15-Octadecatrienoate -6.5
1,2-Dioxin-3-Acetic Acid, 6-(8,10-Dodecadienyl)-3,6-Dihydro-6-Methoxy-, Methyl -5.9
Standard Celecoxib—COX2 -9.4