Computational screening of Nimbin from Azadirachtaindica as a potential anticancer agent targeting BRCA1 in breast cancer

Breast cancer is a major health issue in the world that is associated with some form of resistance and side effects with traditional methods of treatment. This paper will examine the anticancer activity of Nimbin, a bioactive molecule of Azadirachta indica (neem) in molecular docking with Human BRCA1 protein (PDB ID: 4IGK). Nimbin had high binding affinity with a MolDock score of -136.54 which was higher than the standard drug Olaparib (-95.84). The analysis determined that Nimbin forms several stable interactions with BRCA1, such as hydrogen bonds that could be one of the reasons why Nimbin has strong anticancer properties. These findings may indicate that Nimbin has potential as an alternative or adjunct treatment of breast cancer. It should be further experimented to validate its therapeutic potential. This study will bring out the importance of natural products in cancer drug discovery and will be a basis of future pharmacological studies.