Pantnagar Journal of Research

Abstract

Breast cancer stem cells (BCSCs) play a pivotal role in tumor progression, metastasis, and therapeutic resistance. The β -catenin, a key effector of the Wnt signaling pathway, is critically involved in maintaining the self-renewal and pluripotency of BCSCs, making it an attractive molecular target for cancer therapy. Contemporary medicines utilized for targeting breast cancer have not been effective because of poor prognosis and relapse of the disease with many side effects. Natural compounds like curcumin have shown promising anticancer properties with minimal side effects, but limitations in bioavailability and efficacy have prompted the development of suitably designed curcumin conjugates. This study explores the potential of curcumin conjugates as β -catenin inhibitors through a computational approach. A series of ligand molecules, including curcumin, cinnamic acid and its conjugates along with a known binder of β -catenin (R9Q), were subjected to molecular docking against the β -catenin protein structure. Structural parameters of the protein and ligand interactions were analyzed to evaluate their potential to modulate catenin activity. The study aims to explore structurally designed conjugates with the potential to modulate β -catenin signaling in breast cancer stem cells, laying the groundwork for future therapeutic strategies. The findings from in-silico study underscore the need for further in vitro and in vivo investigations to validate the efficacy and biological relevance of the designed conjugates as promising therapeutic agents against breast cancer stem cells.