Title:Phytochemical Study: Molecular Docking of Eugenol Derivatives as Antioxidant
and Antimicrobial Agents
Volume: 19
Issue: 9
Author(s): Achraf Abdou*, Sabrine Idouaarame, Mohammed Salah, Nabil Nor, Soukaina Zahm, Abdelhakim El Makssoudi, Noureddine Mazoir, Ahmed Benharref, Abdelmjid Dari, Jamal Jamal Eddine, Mohamed Blaghen and Mohamed Dakir
Affiliation:
- Laboratory of Organic Synthesis, Extraction and Valorization, Faculty of Sciences Ain Chock, Hassan II University of
Casablanca, P.O. Box 20, 20000, Casablanca, Morocco
Keywords:
Phytochemical study, eugenol, semisynthesis, antioxidant activity, antibacterial activity, molecular docking.
Abstract: 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.