In silico docking analysis of Curcumin as a ferroptosis inducer in Triple Negative Breast Cancer (TNBC)

Abstract

Cancer is the leading cause of death worldwide after cardiac disease, with breast cancer being a major contributor to the mortality rate among women. The subtype of breast cancer known as Triple Negative Breast Cancer (TNBC) is particularly aggressive and shows poor prognosis. Due to the heterogeneity of TNBC and poor response to current treatments, there is an urgent need for new targeted therapies that are less toxic and cause minimal side-effects. Regulated cell death (RCDs), especially ferroptosis, have shown promising outcomes in combating cancer. Ferroptosis is a newly discovered iron-dependent non-apoptotic form of programmed cell death characterized by the accumulation of redox-active iron, loss of antioxidant defense, and lipid peroxidation. Phytochemicals, such as curcumin, have also attracted attention from scientists due to their potential in treating TNBC by reducing the risk of recurrence and drug resistance. Curcumin has been found to possess anti-cancer properties by interfering with various oncogenic signaling pathways and stimulating ferroptosis through solute carrier family 1 member 5 (SLC1A5) mediation. In this study, an in-silico analysis was conducted on curcumin and its potential interaction with various target proteins involved in ferroptosis. Molecular docking revealed its potential binding energy with specific targets, indicating its usefulness in the treatment of TNBC. However, further validation through in vitro studies is required.