Skip to Content
Merck
  • Discovery of estrogen receptor α modulators from natural compounds in Si-Wu-Tang series decoctions using estrogen-responsive MCF-7 breast cancer cells.

Discovery of estrogen receptor α modulators from natural compounds in Si-Wu-Tang series decoctions using estrogen-responsive MCF-7 breast cancer cells.

Bioorganic & medicinal chemistry letters (2011-12-06)
Li Liu, Hongyue Ma, Yuping Tang, Wenxing Chen, Yin Lu, Jianming Guo, Jin-Ao Duan
ABSTRACT

The binding between the estrogen receptor α (ER-α) and a variety of compounds in traditional Chinese formulae, Si-Wu-Tang (SWT) series decoctions, was studied using a stably-transfected human breast cancer cell line (MVLN). In 38 compounds tested from SWT series decoctions, the estrogen-like activity of 22 compounds was above 60% in 20 μg mL(-1). Furthermore, theoretical affinity of these compounds was certificated using the functional virtual screen of ER-α modulators by FlexX-Pharm. The accuracy of functional virtual screening of ER-α modulators could reach to 77.27%. The results showed that some compounds, such as organic acids and flavones in SWT series decoctions could be used as selective estrogen receptor modulators (SERMs) and could be selected for further development as potential agents for estrogen related diseases.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Anisole, anhydrous, 99.7%
Sigma-Aldrich
p-Anisaldehyde, 98%
Sigma-Aldrich
Baicalein, 98%
Sigma-Aldrich
trans-Cinnamic acid, ≥99%
Sigma-Aldrich
trans-Cinnamic acid, natural, ≥99%, FCC, FG
Sigma-Aldrich
trans-Cinnamaldehyde, 97%
Supelco
trans-Ferulic acid, certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
Sigma-Aldrich
trans-Cinnamic acid, ≥99%, FG
Sigma-Aldrich
trans-Cinnamaldehyde, FCC, FG
Supelco
Caffeic acid, matrix substance for MALDI-MS, ≥99.0% (HPLC)
Sigma-Aldrich
trans-Cinnamic acid, 97%
Sigma-Aldrich
3-Hydroxy-4-methoxycinnamic acid, predominantly trans, 97%
Sigma-Aldrich
p-Anisaldehyde, ≥97.5%, FCC, FG
Sigma-Aldrich
trans-Cinnamaldehyde, ≥99%
Supelco
p-Anisaldehyde, analytical standard
Supelco
Caffeic acid, matrix substance for MALDI-MS, ≥99.0% (HPLC), powder, light beige
Supelco
Anisole, analytical standard
Sigma-Aldrich
3,4-Dihydroxybenzoic acid, ≥97.0% (T)
Sigma-Aldrich
trans-Ferulic acid, 99%
Sigma-Aldrich
Anisole, ≥99%, FCC, FG
Supelco
trans-Ferulic acid, matrix substance for MALDI-MS, ≥99.0% (HPLC)
Sigma-Aldrich
Anisaldehyde solution
Sigma-Aldrich
Gallic acid, 97.5-102.5% (titration)
Sigma-Aldrich
Caffeic acid, ≥98.0% (HPLC)
Sigma-Aldrich
Berberine chloride form
Sigma-Aldrich
Anisole, ReagentPlus®, 99%
Sigma-Aldrich
trans-Ferulic acid, ≥99%
Sigma-Aldrich
Linoleic acid, technical, 58-74% (GC)
Sigma-Aldrich
Kaempferol, ≥97.0% (HPLC)
Sigma-Aldrich
Gallic acid monohydrate, ≥99% (HPLC)