Researchers from the Graduate School, Universitas Padjadjaran, have uncovered promising breast cancer–fighting properties in naturally derived compounds from Citrus aurantiifolia (lime) peel. The team successfully isolated three coumarin compounds—5-geranyloxy-7-methoxycoumarin, 5-geranyloxypsoralen, and 8-geranyloxypsoralen—and assessed their cytotoxicity against the MCF-7 breast cancer cell line. Compound 2 (5-geranyloxypsoralen) emerged as the most potent, with an IC₅₀ of 138.51 µg/mL. Complementing these experimental results, in silico molecular docking demonstrated superior binding affinity to the estrogen receptor alpha (ERα), scoring –10.63 kcal/mol versus –9.99 kcal/mol for estradiol. Molecular dynamics simulations further confirmed the stability of the ERα–compound 2 complex, with a root mean square deviation (RMSD) of just 2.964 Å.

This research supports key Sustainable Development Goals (SDGs):

SDG 3 (Good Health and Well-Being): By identifying a naturally sourced compound that could lead to safer, cost-effective breast cancer treatments, the study contributes to broader global health efforts.

SDG 9 (Industry, Innovation and Infrastructure): Employing a blend of wet-lab and computational methodologies exemplifies innovative and resource-efficient drug discovery.

SDG 12 (Responsible Consumption and Production): The use of citrus peel—a typically discarded agro-waste—as a bioactive source highlights a sustainable approach to biomedical resource use.

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