In silico and in vitro anti-inflammatory study of phenolic compounds isolated from Eucalyptus maculata resin
Dalia E. Ali, Rania A. El Gedaily, Shahira M. Ezzat, Maged A. El Sawy, Meselhy R. Meselhy, Essam Abdel‐Sattar
Abstract
Abstract Plant resins are rich in bioactive compounds with high medicinal values. However, the chemistry and anti-inflammatory activity of the resins produced by trees of the genus Eucalyptus were scarcely investigated. The inflammatory targets cyclooxygenase-1 (COX-1), COX-2, TNF-, NF-B, and NO were significantly inhibited by the methanolic extract of Eucalyptus maculata kino resin (EME) and its CH 2 Cl 2 soluble fraction (MCF). Sakuranetin ( C1 ), ( E )-cinnamic acid ( C2 ), kaempferol 7- methyl ether ( C3 ), 7- O -methyl aromadendrin ( C4 ), and 1,6- dicinnamoyl- O-α -D-glucopyranoside ( C5 ) were isolated from MCF. Three compounds ( C1 , C2, and C4 ) showed potent in vitro COX-1 inhibition, while C5 inhibited COX-2, TNF- α , NF-κB, and NO significantly. An in-silico study revealed that C5 had the highest binding affinity to the active site in COX-2 with binding energy score (S) of -14.85 kcal/mol, better than celecoxib (COX-2 inhibitor). In conclusion, 1,6-dicinnamoyl- O-α -D-glucopyranoside ( C5 ) could be investigated further in the search for anti-inflammatory agents.