COX-2 Docking Structural Analysis with Phytochemical Extracts of Rosemary: A Possible Cytotoxicity on Head and Neck Squamous Cell Carcinoma Cell Line (HEp-2)

Author(s):

Ihab S. Abd El-Hamid *, Yara Y. Mouselhy, Marwa M. El-Shafei, Marwa M. Sayed, Aly F. Mohamed and Doaa B. Farag   Pages 1473 - 1480 ( 8 )

Abstract:

<P>Background: Various phenolic phytochemical extracts have been claimed to exhibit different types of biological activity, including anti-inflammatory, anti-oxidative and anti-carcinogenic activity. Carnosol and carnosic acid, extracts of rosemary, are among these phenolic compounds. </P><P> Materials and Methods: CHARMm-based molecular docking was performed to estimate the possible molecular interactions of both carnosic acid and carnosol with the COX-2 active binding site. An MTT assay was used to evaluate HEp-2 cell viability after incubation for 48 hours with low or high concentrations of carnosol, carnosic acid or their combination. The levels of COX-2 were measured in cell lysate by the quantitative indirect ELISA technique. </P><P> Results: Docking revealed favourable negative binding energies as well as binding interactions of both carnosic acid and carnosol within the binding site of the COX-2 receptor. Carnosic acid showed more favourable binding potential than carnosol. One-way ANOVA and Bonferroni’s post hoc tests revealed significant differences in cytotoxicity among cells treated with different concentrations of the rosemary extracts (P< 0.001). ELISA revealed significant reductions in COX-2 protein levels in HEp-2 cells treated with either carnosic acid (-1.42- fold) or carnosol (-3.16-fold) compared to control cells. </P><P> Conclusion: Both rosemary extracts, carnosol and carnosic acid, exert potential cytotoxic effects on the HEp-2 cell line via inhibition of the COX-2 pathway. The combination of carnosol and carnosic acid exerts a stronger cytotoxic effect than either compound alone.</P>

Keywords:

Rosemary, carnosic acid, carnosol, COX-2, docking, HEp-2.

Affiliation:

Faculty of Dentistry, Misr International University, Cairo, Faculty of Oral and Dental Medicine, Future University in Egypt, Cairo, Histopathology Department, Faculty of Dentistry, Misr International University, Cairo, Faculty of Medicine, Ain Shams University, Armed Forces College of Medicine, Cairo, International Center for Training and Advanced Research (ICTAR), Cairo, Faculty of Pharmacy, Misr International University, Cairo

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