Table 3 Docking scores (kcal/mol) of isolated compounds from defatted methanolic (ATD) extract and compounds detected by GC–MS in n-hexane (ATH) extract of A. leucoclada against cyclooxygenase enzymes
From: Phytochemical investigation and anti-inflammatory potential of Atriplex leucoclada Boiss
No | Compound | COX-1 | COX-2 |
|---|---|---|---|
Compounds isolated from ATD extract of A. leucoclada | |||
 1 | 20-hydroxy ecdysone | -8.0 | -8.1 |
 4 | Stigmasterol | -9.0 | -8.4 |
 5 | Palmitic acid | -6.4 | -6.6 |
 6 | Luteolin | -8.2 | -8.5 |
 7 | β-sitosterol-3-O- β-D glucoside | -8.1 | -8.4 |
 8 | Pallidol | -8.5 | -8.1 |
 9 | Isorhamnetin3-O-β-D-galactopyranoside | -7.7 | -7.8 |
Compounds detected in ATH extract of A. leucoclada | |||
 1 | 4-Thujanol, Cis | -5.8 | -5.4 |
 2 | 1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(2-propenyl)- | -6.4 | -6.3 |
 3 | Spathulenol | -5.9 | -6.5 |
 4 | Neophytadiene | -6.5 | -5.5 |
 5 | 2-Pentadecanone, 6,10,14-trimethyl- | -6.2 | -7.0 |
 6 | Chamazulene | -7.7 | -7.6 |
 7 | 13-Heptadecyn-1-ol | -6.4 | -6.5 |
 8 | Hexadecanoic acid, methyl ester | -6.1 | -6.1 |
 9 | 9-Octadecenoic acid (Z) | -5.5 | -6.7 |
 10 | 7,10-Octadecadienoic acid, methyl ester | -7.3 | -6.0 |
 11 | 9-Octadecenoic Acid (Z)-, methyl ester | -7.1 | -6.1 |
 12 | Phytol | -6.2 | -5.6 |
 13 | Heptadecanoic acid, 16-methyl-, methyl ester | -6.5 | -6.4 |
 14 | [1,1′-Bicyclopropyl]-2-octanoic acid, 2′-hexyl-, methyl ester | -6.4 | -5.6 |
 15 | 2-Hydroxy-3-[(9e)-9-octadecenoyloxy]propyl (9e)-9-octadecenoate | -6.5 | -7.1 |
 16 | Villosin | -7.3 | -7.7 |
 17 | 1-Heptatriacotanol | -6.5 | -5.2 |
 18 | 9,19-Cyclolanostan-3-ol, 24,24-epoxymethano-, acetate | -8.4 | -8.3 |
 19 | Ethyl iso-allocholate | -7.4 | -7.4 |
 20 | 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester | -5.7 | -6.3 |
 21 | 9-Octadecenoic acid, 1,2,3-propanetriyl ester, (E, E, E)- | -6.1 | -6.7 |
 22 | Glycidyl oleate | -7.3 | -5.1 |
 23 | Trilinolein | -6.6 | -6.7 |
 24 | Rhodopin | -8.0 | -7.6 |
 25 | β-sitosterol | -8.9 | -7.5 |
 26 | Cholest-5-en-3-ol | -7.6 | -7.4 |
 27 | Ursodeoxycholic acid | -7.4 | -7.4 |