A Multitargeted Approach to Breast Cancer Therapy: Exploring the Therapeutic Potential of Afzelin as a Combination Agent with FDA-Approved Breast Cancer Drugs.

Afzelin, a natural flavonoid, has demonstrated promising anticancer properties, warranting further investigation into its molecular mechanisms and therapeutic potential in breast cancer treatment. This study use various insilico tools to explore Afzelin's interactions with key molecular targets implicated in breast cancer, including estrogen receptors (ERα and ERβ), aromatase, HER2 receptor, kinases, PARP enzyme, microtubules, and immune checkpoint proteins. Molecular docking and simulation studies revealed stable binding modes of Afzelin to estrogen receptors and aromatase, highlighting its potential to modulate these critical pathways. AdmetSAR3.0 confirmed Afzelin’s favorable pharmacokinetic and toxicity profiles, supporting its potential as a drug-like molecule. These findings propose Afzelin as a promising candidate for combination therapy with FDA-approved drugs, offering a synergistic strategy to target multiple pathways involved in breast cancer. This study provides a foundation for further preclinical and clinical evaluations of Afzelin in the context of breast cancer therapeutics.