ArticleDrug design, development and therapy2015
In silico approach for the discovery of new PPARγ modulators among plant-derived polyphenols.
Article in Drug design, development and therapy, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed, 45 citations in OpenAlex.
- Rational in silico design of PPARγ agonists for type 2 diabetes: an integrated study using pharmacophore modeling, 3D-QSAR, molecular docking, MD simulations, DFT, and toxicity prediction.Molecular diversity · 2026Article
- Role of Dietary Polyphenols in NAD+-Dependent Deacetylase SIRT 1 in Stress-Induced Depression.Molecular neurobiology · 2025Review
- In silico identification of PPARγ agonists from diffractaic acid analogs in prostate cancer: a comprehensive computational approach.3 Biotech · 2025Article
- Potential Antidiabetic Activity of β-sitosterol fromCombinatorial chemistry & high throughput screening · 2024Article
- Molecular docking of antidiabetic molecules of libas (In silico pharmacology · 2024Article
- Peimine, an Anti-Inflammatory Compound from Chinese Herbal Extracts, Modulates Muscle-Type Nicotinic Receptors.International journal of molecular sciences · 2021Article
- Potential Inhibitors of Fascin From A Database of Marine Natural Products: A Virtual Screening and Molecular Dynamics Study.Frontiers in chemistry · 2021Article
- Differential Effects of IGF-1R Small Molecule Tyrosine Kinase Inhibitors BMS-754807 and OSI-906 on Human Cancer Cell Lines.Cancers · 2020Article
- The Interaction of Temozolomide with Blood Components Suggests the Potential Use of Human Serum Albumin as a Biomimetic Carrier for the Drug.Biomolecules · 2020Article
- Article
- Model Optimization and In Silico Analysis of Potential Dipeptidyl Peptidase IV Antagonists from GC-MS Identified Compounds inInternational journal of molecular sciences · 2019Article
- Phenolic Compounds Inhibit 3T3-L1 Adipogenesis Depending on the Stage of Differentiation and Their Binding Affinity to PPARγ.Molecules (Basel, Switzerland) · 2019Article
- IFIT5 Participates in the Antiviral Mechanisms of Rainbow Trout Red Blood Cells.Frontiers in immunology · 2019Article
- Potential Anti-Cancer Flavonoids Isolated FromBioinformatics and biology insights · 2019Article
- New Mammalian Target of Rapamycin (mTOR) Modulators Derived from Natural Product Databases and Marine Extracts by Using Molecular Docking Techniques.Marine drugs · 2018Article
- Discovery of nonnucleoside inhibitors of polymerase from infectious pancreatic necrosis virus (IPNV).Drug design, development and therapy · 2018Article
- Multi-Targeted Molecular Effects of Hibiscus sabdariffa Polyphenols: An Opportunity for a Global Approach to Obesity.Nutrients · 2017Review
- An Updated Review on Marine Anticancer Compounds: The Use of Virtual Screening for the Discovery of Small-Molecule Cancer Drugs.Molecules (Basel, Switzerland) · 2017Review
- Molecular docking, 3D-QSAR and structural optimization on imidazo-pyridine derivatives dually targeting AT1 and PPARg.Oncotarget · 2017Article
- AMPK modulatory activity of olive-tree leaves phenolic compounds: Bioassay-guided isolation on adipocyte model and in silico approach.PloS one · 2017Article
Corrections and comments
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Authors and funding
4 authors at 3 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
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.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.