Effectiveness of Evodiamine and Evodone as Ovarian Anticancer In Silico

Abstract

— Cancer is a disease that is still a global problem which ranked second leading cause of death, amounting to 13% after cardiovascular disease. Cancer of the ovaries arethe second most common group of gynecologic cancers and accounts fo r about 5% of all women's cancers. Chemotherapy (chemo) is the use of drugs to treat cancer. Chemo can be useful to kill very small amounts of cancer cells that may still be around after surgery, for cancers that have metastasized (spread), or to shrink very large tumors to make surgery easier. Chemo drugs can cause side effects. These side effects usually go away after treatment is finished. Therapeutic herbs and their derivative phytocompounds are being progressively more accepted as useful complementary treatments for cancer. Zodia (Evodia sp) is Indonesian endemic plants containing some active compounds as anticancer there are evodiamine and evodone. In this study, we investigated the effectiveness of evodiamine and evodone by in silico method to treat varian cancer. This study uses Autodock, PyRx and LigPlot software with the method used is molecular docking. The docking results showed the effectiveness of the two compounds was assessed from binding affinity on evodiamine of -7 kcal/mol RMSD (Root Mean Square Deviation) of 1.66 Å, while the evodone compound was -5.8 kcal / mol and 2.52 Å. From these results, can be proven that the evodiamine compound has the most effective results as an ovarian anticancer compound in silico.