Molecular Docking and ADME Profiling of Fucoxanthin Against Breast Cancer Targets: An in Silico Study

Abstract

The most common and major cause of cancer-related death among women is breast cancer. In recent years, it has gained unique attention for novel bioactive compounds with anti-cancer potential. A marine carotenoid derived from brown algae is known as fucoxanthin, has been reported to have many pharmacological activities, especially anti-cancer effects. This study aimed to evaluate fucoxanthin’s potential against breast cancer targets using an in silico approach. Molecular docking analysis was performed to investigate the interaction of fucoxanthin with selected breast cancer-related proteins. The in silico studies showed favorable binding affinity, suggesting strong binding between fucoxanthin and its target proteins it has a relatively high molecular weight. This study evaluates the ADME of the drug candidate. To determine the pharmacokinetic and drug-likeness properties. The result indicates it pharmacokinetic performance for further investigation; toxicity prediction studies were also identified. Lastly, fucoxanthin is reported as having promising binding potential against breast cancer targets. It serves as a leading compound for further anti-cancer drug development, and further studies, such as experimental and pharmacological studies, are necessary to validate its efficacy.