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

Resmi Mustarichiei, Jutti Levitas, Jopi Arpina (Faculty of Medicine Universitas Indonesia, 2014)

 Abstract

Abstrak
Based on data from the Hospital Information System (HIS) in 2007, breast cancer is the top ranked diagnosed cancer in Indonesia. Estrogen receptor alpha (ERα) 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 β-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 ERα.
Methods: Docking simulations are carried out in this paper to visualize molecular-level interactions between the four compounds with ERα. Docking simulations between estradiol and tamoxifen on ERα are carried out as well.
Results: Docking results indicated that curcumol, curcumenol, isocurcumenol, and β-sitosterol showed inhibitory activity againts estrogen receptor alpha (ERα). The order of potency is shown consecutively by isocurcumenol, curcumol, curcumenol, and β-sitosterol with values 0.584 M, 1.36 M, 1.61 M, and 7.35 M respectively. Curcumenol and estradiol interacts with ERα through hydrogen bonds and hydrophobic interactions, whereas curcumol, isocurcumenol, β-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.

 Metadata

Collection Type : Artikel Jurnal
Call Number : 610 UI- MJI 23:1 (2014) (2)
Main entry-Personal name :
Additional entry-Personal name :
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Publishing : Jakarta: Faculty of Medicine Universitas Indonesia, 2014
Cataloguing Source : LibUI eng rda
ISSN : 08531773
Magazine/Journal : Medical Journal of Indonesia
Volume : Vol. 23, No.1 February 2014: Hal: 15-24
Content Type : text
Media Type : unmediated
Carrier Type : volume
Electronic Access :
Holding Company : Universitas Indonesia
Location : Perpustakaan UI, Lantai 4, R. Koleksi Jurnal
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Call Number Barcode Number Availability
610 UI- MJI 23:1 (2014) (2) 03-19-586665075 TERSEDIA
Review:
No review available for this collection: 20496674
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