Evaluation of Different Phytochemicals Against BRCA2 Receptor

Abstract

Cancer is one of the most common diseases and remains a leading cause of death worldwide. Breast cancer is one of the major causes of mortality in women. It is one of the most frequent cancers among others. Due to its high mortality, it requires effective prevention. Radiotherapy, immunotherapy, and chemotherapy are the most common methods used to treat breast cancer, but these techniques adversely affect healthy cells. Therefore, an alternative therapy is required to overcome this problem. Phytochemicals from different plant sources are an alternative way for curing infectious diseases and now they are being explored for their anti-cancer therapeutics. In the present study, the BRCA2 receptor protein, which is actively involved in breast cancer expression, was chosen for the molecular docking analysis. This study focuses on evaluating phytochemical compounds from 5 different plants against BRCA2 breast cancer tumor receptors. Prior to computational analysis, a theoretical ADME study was used to rule out a few compounds. Virtual screening of these compounds identified five-hit molecules, which could be further explored in the drug discovery pipeline. Molecular docking analysis revealed that isocolumbin possesses maximum negative binding energy against BRCA2 receptors. These hits were found to be well in range in the bioavailability radar test as well.