cox-2 docking molecular modelling: a study on the effect of phytochemical extracts of rosemary on oral squamous cell carcinoma
The anti-carcinogenic property of rosemary and its extracts, carnosic acid and carnosol, attracts many researchers because of their various cytotoxic effect against different cell lines. Rosemary may act as an antioxidant and may influence the proliferation and survival of cancer cells.
Material and Methods:
Docking was performed to estimate the possible molecular interaction of both carnosic acid and carnosol with COX-2 ligand. MTT assay was used to evaluate the cytotoxicity in HEp2 cancer cell line treated with different concentrations of carnosol and carnosic acid. Cytotoxicity was evaluated in Hep2 cancer cells treated with different concentrations of the extracts for 48 hours.
Docking revealed a negative energy interaction of both carnosic acid and carnosol with COX-2 ligand. Statistical Analysis revealed that a significant difference was found between the cytotoxicity in cells treated with different concentrations of the rosemary extracts.
Both rosemary extracts, carnosol and carnosic acid, have cytotoxic effect on HNSCC cell line via COX-2 inhibition pathway. The combination of carnosol and carnosic acid exerts a higher anti-tumor effect than the effect solely.