期刊
LETTERS IN ORGANIC CHEMISTRY
卷 19, 期 9, 页码 774-783出版社
BENTHAM SCIENCE PUBL LTD
DOI: 10.2174/1570178619666220111112125
关键词
Phytochemical study; eugenol; semisynthesis; antioxidant activity; antibacterial activity; molecular docking
This study evaluated the antimicrobial and antioxidant activities of eugenol and its derivatives through molecular dynamic simulation, and tested them against Escherichia coli and Staphylococcus aureus. The results revealed the potential inhibitory effects of these compounds against the two bacteria, with epoxyeugenol being the most active antioxidant.
Eugenol (4-allyl-2-methoxyphenol) is a natural phenolic compound present in certain aromatic plants; however, it is generally extracted from the essential oil of Eugenia caryophyllata (Syzygiumaromaticum) (L.) Merr. and L.M. Perry. This bioactive natural compound has generated considerable biological interest with well-known antimicrobial and antioxidant actions. This study aimed at evaluating eugenol derivatives as antimicrobial and antioxidant agents with the aid of molecular dynamic simulation. The starting material was extracted from cloves using hydrodistillation. Two eugenol derivatives, acetyleugenol (4-allyl-2-methoxyphenylacetate) and epoxyeugenol 4-(2,3-Epoxypropyl)-2-methoxyphenol, were prepared and tested against two strains Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). The results have revealed that the three compounds (eugenol, acetyleugenol, and epoxyeugenol) possess important potentials for inhibition against E. coli and S. aureus. The antioxidant activity of eugenol derivatives was evaluated by reacting with DPPH (1,1-diphenyl-2-picrylhydrazyl), and it was reported that the epoxyeugenol was the most active compound. The molecular docking scores of three compounds and the amino acids in the active site pockets of the selected proteins of the two bacteria have approved and explained the biological experimental outcomes.
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