In silico study of curcumol, curcumenol, isocurcumenol, and ß-sitosterol as potential inhibitors of estrogen receptor alpha of breast cancer  

Oleh:

Mustarichiei, Resmi ; Levitas, Jutti ; Arpina, Jopi

Jenis: Article from Journal - ilmiah nasional - terakreditasi DIKTI
Dalam koleksi: Medical Journal of Indonesia vol. 23 no. 01 (Feb. 2014), page 015-024.
Topik: ß-sitosterol; breast cancer; curcumol; curcumenol; estradiol; ERa; isocurcumenol
Fulltext: 684-1335-3-PB.pdf (772.72KB)

Ketersediaan

Perpustakaan FK Nomor Panggil: M35.K Non-tandon: 1 (dapat dipinjam: 0) Tandon: tidak ada

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Isi artikel

Background: Based on data from the Hospital Information System (HIS) in 2007, breast cancer is the top ranked diagnosed cancer in Indonesia. Estrogen receptor alpha (ERa) is associated with breast cancer because it is found in high levels in cancer tissues. Curcumol, curcumenol, isocurcumenol of white tumeric rhizomes (Curcuma zedoaria (Christm.) Roscoe), and ß-sitosterol from seeds of pumpkin (Cucurbita pepo L.) have been reported to have inhibitory activity against cancer cells. This study presents the in silico study of these compounds as inhibitors of ERa. Methods: Docking simulations are carried out in this paper to visualize molecular-level interactions between the four compounds with ERa. Docking simulations between estradiol and tamoxifen on ERa are carried out as well. Results: Docking results indicated that curcumol, curcumenol, isocurcumenol, and ß-sitosterol showed inhibitory activity againts estrogen receptor alpha (ERa). The order of potency is shown consecutively by isocurcumenol, curcumol, curcumenol, and ß-sitosterol with values 0.584 M, 1.36 M, 1.61 M, and 7.35 M respectively. Curcumenol and estradiol interacts with ERa through hydrogen bonds and hydrophobic interactions, whereas curcumol, isocurcumenol, ß-sitosterol and tamoxifen through hydrophobic interactions in succession. Conclusion: Natural products containing all four compounds have the potential to be used as drugs or adjuvant drugs in breast cancer therapy.

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