evaluation of molecular docking and cytotoxicity by pycnocycla bashagardiana fruit essential oil in colon cancer cell lines

Background: pycnocycla bashagardianaessential oil (eo) is extracted from fruits via hydrodistillation and analyzed through gas chromatography-mass spectrometry. objectives: this study aimed to evaluate molecular docking and cytotoxicity by p. bashagardianaeo in colon cancer cell lines. methods: the viability rates of p. bashagardianafruit essential oil (pbfeo)-treated normal l929 and ht29 cancer cells were assessed at 0 - 500 μg/ml in 24 and 48 h by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide. the cell apoptosis percentage was investigated via flow cytometry and gene expression of bax and bcl2 using the real-time polymerase chain reaction. in addition, the efficient myristicin binding was examined with the bcl2 protein through molecular docking analysis. results: the half maximal inhibitory concentrations of 431.8 and 450 μg/ml in l929 cells, as well as 278.5 and 144.6 μg/ml in ht29 cells, were recorded at 24 and 48 h, respectively. the cell apoptosis percentage was examined by annexin-v-fitc. the results indicated a significant increase in the apoptosis percentage. a significant increase was also observed in ht29 cancer cells compared to normal l929 cells regarding the expression ratio of bax/bcl2 genes. myristicin’s binding affinity to bcl2 was relatively weak compared to the control. conclusions: based on the results, myristicin can be suggested as a complementary treatment for colon cancer through more effective treatment and reducing the side effects of normal cells.