| Title |
In silico approach for the discovery of new PPARγ modulators among plant-derived polyphenols
|
|---|---|
| Published in |
Drug Design, Development and Therapy, November 2015
|
| DOI | 10.2147/dddt.s93449 |
| Pubmed ID | |
| Authors |
José Antonio Encinar, Gregorio Fernández-Ballester, Vicente Galiano-Ibarra, Vicente Micol |
| Abstract |
Peroxisome proliferator-activated receptor gamma (PPARγ) is a well-characterized member of the PPAR family that is predominantly expressed in adipose tissue and plays a significant role in lipid metabolism, adipogenesis, glucose homeostasis, and insulin sensitization. Full agonists of synthetic thiazolidinediones (TZDs) have been therapeutically used in clinical practice to treat type 2 diabetes for many years. Although it can effectively lower blood glucose levels and improve insulin sensitivity, the administration of TZDs has been associated with severe side effects. Based on recent evidence obtained with plant-derived polyphenols, the present in silico study aimed at finding new selective human PPARγ (hPPARγ) modulators that are able to improve glucose homeostasis with reduced side effects compared with TZDs. Docking experiments have been used to select compounds with strong binding affinity (ΔG values ranging from -10.0±0.9 to -11.4±0.9 kcal/mol) by docking against the binding site of several X-ray structures of hPPARγ. These putative modulators present several molecular interactions with the binding site of the protein. Additionally, most of the selected compounds have favorable druggability and good ADMET properties. These results aim to pave the way for further bench-scale analysis for the discovery of new modulators of hPPARγ that do not induce any side effects. |
X Demographics
The data shown below were collected from the profiles of 3 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 3 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 2 | 67% |
| Practitioners (doctors, other healthcare professionals) | 1 | 33% |
Mendeley readers
The data shown below were compiled from readership statistics for 66 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Spain | 1 | 2% |
| Germany | 1 | 2% |
| Unknown | 64 | 97% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Researcher | 12 | 18% |
| Student > Bachelor | 9 | 14% |
| Student > Ph. D. Student | 6 | 9% |
| Professor > Associate Professor | 3 | 5% |
| Unspecified | 3 | 5% |
| Other | 14 | 21% |
| Unknown | 19 | 29% |
| Readers by discipline | Count | As % |
|---|---|---|
| Biochemistry, Genetics and Molecular Biology | 14 | 21% |
| Agricultural and Biological Sciences | 8 | 12% |
| Pharmacology, Toxicology and Pharmaceutical Science | 6 | 9% |
| Chemistry | 5 | 8% |
| Medicine and Dentistry | 5 | 8% |
| Other | 7 | 11% |
| Unknown | 21 | 32% |
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 25 April 2017.
All research outputs
#17,302,400
of 25,394,764 outputs
Outputs from Drug Design, Development and Therapy
#1,109
of 2,270 outputs
Outputs of similar age
#176,494
of 294,905 outputs
Outputs of similar age from Drug Design, Development and Therapy
#47
of 103 outputs
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