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X Demographics
Mendeley readers
Attention Score in Context
| Title |
In silico Approach for Anti-Thrombosis Drug Discovery: P2Y1R Structure-Based TCMs Screening
|
|---|---|
| Published in |
Frontiers in Pharmacology, January 2017
|
| DOI | 10.3389/fphar.2016.00531 |
| Pubmed ID | |
| Authors |
Fan Yi, Le Sun, Li-jia Xu, Yong Peng, Hai-bo Liu, Chun-nian He, Pei-gen Xiao |
| Abstract |
Cardiovascular diseases (CVDs), including thrombosis, which is induced by platelet aggregation, are the leading cause of mortality worldwide. The P2Y1 receptor (P2Y1R) facilitates platelet aggregation and is thus an important potential anti-thrombotic drug target. The P2Y1R protein structure contains a binding site for receptor antagonist MRS2500 within its seven-transmembrane bundle, which also provides suitable pockets for numerous other ligands to act as nucleotide antagonists of P2Y1R. The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) comprises 499 Chinese Pharmacopoeia-registered herbs and the structure information for 29,384 ingredients. In silico docking of these compounds into the P2Y1R protein structure within the MRS2500 pocket can identify potential antithrombotic drugs from natural medicinal plants. Docking studies were performed and scored to evaluate ligand-binding affinities. In this study, a total of 8987 compounds from Traditional Chinese Medicine (TCM) were filtered by Lipinski's rule of five, and their ideal oral-intake properties were evaluated. Of these, 1656 compounds distributed in 443 herbs docked into the P2Y1R-MRS2500 structure in 16,317 poses. A total of 38 compounds were ranked with a DockScore above 70, and these may have significant potential for development into anti-thrombosis drugs. These computational results suggested that licorice (Glycyrrhiza uralensis Fisch), cimicifugae (Cimicifuga foetida L.), and ganoderma (Ganoderma lucidum Karst) and their chemical constituents, which have not previously been widely used for anti-thrombosis, may have unexpected effects on platelet aggregation. Moreover, two types of triterpene scaffolds summarized from 10 compounds were distributed in these three herbs and also docked into P2Y1R. These scaffold structures may be utilized for the development of drugs to inhibit platelet aggregation. |
X Demographics
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 51 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 51 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Master | 8 | 16% |
| Student > Bachelor | 7 | 14% |
| Student > Ph. D. Student | 4 | 8% |
| Researcher | 3 | 6% |
| Other | 2 | 4% |
| Other | 7 | 14% |
| Unknown | 20 | 39% |
| Readers by discipline | Count | As % |
|---|---|---|
| Pharmacology, Toxicology and Pharmaceutical Science | 6 | 12% |
| Agricultural and Biological Sciences | 6 | 12% |
| Chemistry | 6 | 12% |
| Biochemistry, Genetics and Molecular Biology | 4 | 8% |
| Immunology and Microbiology | 1 | 2% |
| Other | 3 | 6% |
| Unknown | 25 | 49% |
Attention Score in Context
This research output has an Altmetric Attention Score of 1. 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 09 January 2017.
All research outputs
#20,382,391
of 22,931,367 outputs
Outputs from Frontiers in Pharmacology
#10,138
of 16,213 outputs
Outputs of similar age
#356,363
of 421,326 outputs
Outputs of similar age from Frontiers in Pharmacology
#102
of 172 outputs
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So far Altmetric has tracked 16,213 research outputs from this source. They receive a mean Attention Score of 5.0. This one is in the 1st percentile – i.e., 1% of its peers scored the same or lower than it.
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We're also able to compare this research output to 172 others from the same source and published within six weeks on either side of this one. This one is in the 1st percentile – i.e., 1% of its contemporaries scored the same or lower than it.