| Title |
A molecular docking study of phytochemical estrogen mimics from dietary herbal supplements
|
|---|---|
| Published in |
In Silico Pharmacology, March 2015
|
| DOI | 10.1186/s40203-015-0008-z |
| Pubmed ID | |
| Authors |
Chelsea N Powers, William N Setzer |
| Abstract |
The purpose of this study is to use a molecular docking approach to identify potential estrogen mimics or anti-estrogens in phytochemicals found in popular dietary herbal supplements. In this study, 568 phytochemicals found in 17 of the most popular herbal supplements sold in the United States were built and docked with two isoforms of the estrogen receptor, ERα and ERβ (a total of 27 different protein crystal structures). The docking results revealed six strongly docking compounds in Echinacea, three from milk thistle (Silybum marianum), three from Gingko biloba, one from Sambucus nigra, none from maca (Lepidium meyenii), five from chaste tree (Vitex agnus-castus), two from fenugreek (Trigonella foenum-graecum), and two from Rhodiola rosea. Notably, of the most popular herbal supplements for women, there were numerous compounds that docked strongly with the estrogen receptor: Licorice (Glycyrrhiza glabra) had a total of 26 compounds strongly docking to the estrogen receptor, 15 with wild yam (Dioscorea villosa), 11 from black cohosh (Actaea racemosa), eight from muira puama (Ptychopetalum olacoides or P. uncinatum), eight from red clover (Trifolium pratense), three from damiana (Turnera aphrodisiaca or T. diffusa), and three from dong quai (Angelica sinensis). Of possible concern were the compounds from men's herbal supplements that exhibited strong docking to the estrogen receptor: Gingko biloba had three compounds, gotu kola (Centella asiatica) had two, muira puama (Ptychopetalum olacoides or P. uncinatum) had eight, and Tribulus terrestris had six compounds. This molecular docking study has revealed that almost all popular herbal supplements contain phytochemical components that may bind to the human estrogen receptor and exhibit selective estrogen receptor modulation. As such, these herbal supplements may cause unwanted side effects related to estrogenic activity. |
X Demographics
The data shown below were collected from the profiles of 8 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United States | 1 | 13% |
| Iraq | 1 | 13% |
| United Kingdom | 1 | 13% |
| Philippines | 1 | 13% |
| Denmark | 1 | 13% |
| Canada | 1 | 13% |
| Unknown | 2 | 25% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 4 | 50% |
| Members of the public | 4 | 50% |
Mendeley readers
The data shown below were compiled from readership statistics for 144 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Germany | 1 | <1% |
| Brazil | 1 | <1% |
| Nigeria | 1 | <1% |
| Romania | 1 | <1% |
| Namibia | 1 | <1% |
| United States | 1 | <1% |
| Unknown | 138 | 96% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 21 | 15% |
| Researcher | 19 | 13% |
| Student > Master | 16 | 11% |
| Student > Bachelor | 16 | 11% |
| Student > Doctoral Student | 13 | 9% |
| Other | 33 | 23% |
| Unknown | 26 | 18% |
| Readers by discipline | Count | As % |
|---|---|---|
| Medicine and Dentistry | 27 | 19% |
| Agricultural and Biological Sciences | 27 | 19% |
| Pharmacology, Toxicology and Pharmaceutical Science | 19 | 13% |
| Biochemistry, Genetics and Molecular Biology | 16 | 11% |
| Chemistry | 14 | 10% |
| Other | 11 | 8% |
| Unknown | 30 | 21% |
Attention Score in Context
This research output has an Altmetric Attention Score of 21. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 10 December 2023.
All research outputs
#1,751,445
of 25,547,324 outputs
Outputs from In Silico Pharmacology
#4
of 93 outputs
Outputs of similar age
#22,052
of 277,906 outputs
Outputs of similar age from In Silico Pharmacology
#2
of 2 outputs
Altmetric has tracked 25,547,324 research outputs across all sources so far. Compared to these this one has done particularly well and is in the 93rd percentile: it's in the top 10% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 93 research outputs from this source. They receive a mean Attention Score of 3.7. This one has done particularly well, scoring higher than 96% of its peers.
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We're also able to compare this research output to 2 others from the same source and published within six weeks on either side of this one.