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Research articles

ScienceAsia 45 (2019): 452-457 |doi: 10.2306/scienceasia1513-1874.2019.45.452

Dietary flavonoids against various breast cancer subtypes: a molecular docking study

Wahyu Widowatia,*, Diana Krisanti Jasaputraa, Yusuf Heriadyb, Ahmad Fariedc, Rizal Rizald, Wahyu Setia Widodod, Satrio Haryo Benowo Wibowod, Hanna Sari W Kusumad, Ermi Girsange, I Nyoman Ehrich Listere

ABSTRACT:     Breast cancer is female most frequent diagnosed cancer and the leading cause of cancer death. The consumption of dietary flavonoids is reported to cause significant breast cancer risk reduction. In vitro studies often used aglycone flavonoids rather than its conjugated form that actually present in human body. Thus its mechanism against breast cancer has not been elucidated completely. The present study aimed to investigate the possible mechanism of dietary flavonoids against breast cancer by in silico study. Conjugated flavonoids were docked to ER (estrogen receptor), HER2 (human epidermal growth factor receptor 2) and EGFR (epidermal growth factor receptor) kinase domains. The molecular docking of 22 flavonoid conjugates towards EGFR and HER2 kinase domain, and ER was successfully performed. Potential binders to proteins: epicatechin conjugates to ER (−8.7 kcal/mol), isoflavone conjugates to HER2 kinase domain (−10.7 kcal/mol), and epigallocatechin and epicatechin conjugates to EGFR kinase domain (−9.2 kcal/mol), were suggested. Supported by other studies, conjugated flavonoids may exert similar inhibitory and agonistic properties to their parent flavonoids. Taken together, the present study showed possible effects of dietary flavonoids against various breast cancer subtypes.

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a Faculty of Medicine, Maranatha Christian University, Bandung 40164, West Java, Indonesia
b Faculty of Medicine, Bandung Islamic University, Bandung 40116, West Java, Indonesia
c Department of Neurosurgery and Stem Cell Working Group, Faculty of Medicine, Universitas Padjadjaran-Dr. Hasan Sadikin Hospital, Bandung, West Java, Indonesia
d Biomolecular and Biomedical Research Centre, Aretha Medika Utama, Bandung 40163, West Java, Indonesia
e Universitas Prima Indonesia, Medan 20118, North Sumatera, Indonesia

* Corresponding author, E-mail: wahyu_w60@yahoo.com

Received 14 Jul 2019, Accepted 30 Oct 2019