An in-silico approach to target Breast cancer with novel phytochemicals

Aging leads to the manifestation of various diseases. Cancer being one of the major illness that is associated with the age. Breast cancer is still a relatively global health concern as the leading cancer cause of death among women. The current study also utilizes an in-silico approach to discover and characterize new phytochemicals as potential therapeutic agents to breast cancer. Here, we explore the molecular basis driving the makeup of breast cancer, with an emphasis on the PI3K/AKT/mTOR pathway, a well-known signaling cascade implicated in cell growth and therapy response. Two candidates (Thalidasine (-8.80 Kcal/mol) and 7-Epiclusianone (-8.62 Kcal/mol)) were found to be promising leads displaying high binding affinity and therapeutic potential through screening a diverse library of phytochemicals against key breast cancer target proteins. These phytochemicals exhibit diverse antineoplastic effects as cell proliferation, angiogenesis, and metastasis inhibitors, and/or as inducers of apoptosis. Besides, their ability to specifically target breast cancer stem cells and to increase sensitivity to traditional therapies make them an appealing option for breast cancer adjuvant therapy. Taken together our data suggest that these phytochemicals should be further studied alone and in novel nano formulations that enhance bioavailability and reduce toxicity. This study adds to the evidence for the potential role of natural products in breast cancer and the role of lifestyle in cancer prevention.