FUNGAL SECONDARY METABOLITES: EMERGING THERAPEUTIC AGENTS FOR BREAST CANCER: IN-SILICO STUDY

Abstract

Cancer is a prevalent and deadly disease that significantly impacts human health and well-being, ranking as a leading cause of death globally. Genetic variations or mutations in genes associated with breast cancer, such as BRCA1 and BRCA2, can result in the overexpression of tumor suppressor genes. Despite advancements in cancer research and medicine, the development of efficient and safe drugs for breast cancer remains a significant challenge due to the severe side effects associated with many existing treatments. Medicinal fungi have traditionally been used to treat various diseases. In this study, we aimed to investigate the effectiveness of secondary metabolites from Aspergillus flavus in targeting tumor suppressor proteins associated with breast cancer. We utilized an in-silico method to identify potential compounds that could act as strong inhibitors for breast cancer treatment. Molecular docking studies were conducted using compounds known to be effective against BRCA1, BRCA2, and TP53. The pharmacological profile of the secondary metabolite, including PASS, bioactivity scores, ADMET, cell line cytotoxicity, cardiac toxicity, and organ and endpoint toxicity, was comprehensively evaluated. Among the secondary metabolites analyzed, vitexin exhibited the highest binding affinity energy to BRCA1, BRCA2, and TP53 proteins, respectively. This discovery suggests that vitexin could be a promising candidate for the development of selective and potent tumor suppressor inhibitors for breast cancer treatment. This study represents an initial step towards the rational design of novel inhibitors for breast cancer therapy. By targeting tumor suppressor proteins such as TP53, BRCA1, and BRCA2, we aim to develop more effective and safer drugs for breast cancer patients.