Exploring the Potential of Chemical Constituents of Datura metel in Breast Cancer from Molecular Docking Studies

Abstract

Breast cancer remains a pervasive health challenge worldwide, prompting the exploration of novel therapeutic prospects. Datura metel has long been recognized for its pharmacological properties, particularly in containing various bioactive compounds like alkaloids, flavonoids, and terpenoids. This review focuses on the potential of chemical constituents sourced from Datura metel, a traditional medicinal plant, in combating breast cancer, primarily through molecular docking studies. The review meticulously scrutinizes the chemical composition of Datura metel, emphasizing the identified compounds known for their therapeutic attributes. Through an extensive analysis of molecular docking studies, the interactions between these Datura metel constituents and crucial molecular targets associated with breast cancer are elucidated. The phytoconstituents (compound 1-13) were found to be more potent as compare to Tomoxifen citrate as standard anticancer drug. The findings presented herein beckon for further exploration, highlighting a promising avenue in the pursuit of effective and targeted treatments for breast cancer. In conclusion, this review emphasizes the synergistic integration of computational approaches with traditional knowledge, accelerating the discovery and development of innovative breast cancer therapies.