A comprehensive review: Breast cancer and the role of natural products in its treatment via in silico approach

Shinde, Manasi A and Rangdal, Deepa N and Nalawade, Riya A and Sharma, Ranikumari S and Pardale, Shruti P and Tayade, Rajendra R. and Bhatu, Minakshi N. and Patil, Shubhangi P (2025) A comprehensive review: Breast cancer and the role of natural products in its treatment via in silico approach. GSC Advanced Research and Reviews, 22 (3). pp. 175-199. ISSN 2582-4597

Breast cancer is the most frequent malignancy and a leading cause of cancer-related death among women, thus representing a global health challenge linked to its high heterogeneity. However, there has been major progress in breast cancer diagnosis and therapy, still it remains a heavy burden with high incidence and death rate majorly in females. This review provides a comprehensive exploration of breast cancer, mechanism pathways and treatment options and highlights the potency of significant alkaloids, flavonoids, and other natural compounds, emphasizing their potential as therapeutic agents. Moreover, the present study employs an approach focusing on computational methods including molecular docking, molecular dynamics simulation, and Absorption, Distribution, Metabolism, Excretion and Toxicity (ADMET) to investigate the potential of natural products in breast cancer treatment. Furthermore, this review concludes by the discussion of recent studies which outlines the role of natural products via in silico approach for breast cancer treatment.