In silico study to molecular docking study testing the activity of clove flower essential oil components (Syzigium aromaticum (L)) as anti-breast cancer on EGFR receptors Available to Purchase

Breast cancer is the number one cancer case experienced by women in the world. Chemotherapy and various drugs are used to suppress cancer growth, but they have serious side effects. Clove essential oil contains high levels of eugenol. Eugenol is an isoflavone raw material which has been known to have anticancer activity. The aim of this study is to determine the affinity and molecular mechanism of clove flower essential oil components against breast cancer with the target protein EGFR in silico (computer modeling). The molecular docking method uses the Chimera 1.13.1 program and the iGEMDOCK application. The best results in the in-silico study showed the presence of a hydrogen group that interacted with Lys 745 with a bond affinity value of -7 and a bond distance of 3.061Å on the interaction of eugenol with EGFR protein. As a positive control, Osimertinib showed an affinity value of -3.5 kcal/mol. These results indicate a better potential of eugenol as the main identity of clove flower essential oil as breast cancer therapy. Toxicity test was done to detect the toxic effect of a substance on a biological system and to obtain typical dose-response data from the test preparation. The method used in the toxicity test was ADMETlab 2.0 with the result that the clove flower extract compound (Syzygium aromaticum (L)) was not characteristic in the absence of values above++ +.