Structural insight into PPARγ ligands binding

A Farce, N Renault, P Chavatte - Current Medicinal Chemistry, 2009 - ingentaconnect.com
Peroxisome Proliferator Activated Receptors (PPARs) are a family of three related nuclear
receptors first cloned in 1990. Their involvement in glucidic and lipidic homeostasis quickly …

Virtual screening as a technique for PPAR modulator discovery

SN Lewis, J Bassaganya-Riera, DR Bevan - PPAR research, 2010 - Wiley Online Library
Virtual screening (VS) is a discovery technique to identify novel compounds with therapeutic
and preventive efficacy against disease. Our current focus is on the in silico screening and …

An alternate mode of binding of the polyphenol quercetin with serum albumins when complexed with Cu (II)

AS Roy, DR Tripathy, AK Ghosh, S Dasgupta - Journal of Luminescence, 2012 - Elsevier
Polyphenols find wide use as antioxidants, cancer chemopreventive agents and metal
chelators. The latter activity has proved interesting in many aspects. We have probed the …

Pharmacophore modeling and parallel screening for PPAR ligands

P Markt, D Schuster, J Kirchmair, C Laggner… - Journal of computer …, 2007 - Springer
We describe the generation and validation of pharmacophore models for PPARs, as well as
a large scale validation of the parallel screening approach by screening PPAR ligands …

Computational study of the binding orientation and affinity of PPARγ agonists: Inclusion of ligand-induced fit by cross-docking

C Muñoz-Gutierrez, F Adasme-Carreño, E Fuentes… - Rsc Advances, 2016 - pubs.rsc.org
The peroxisome proliferator-activated receptors (PPARs) comprise a family of three nuclear
receptor isoforms (γ, β/δ, α) which are key regulators of metabolism and inflammation. A …

Discovery of new nanomolar peroxisome proliferator-activated receptor γ activators via elaborate ligand-based modeling

BO Al-Najjar, HA Wahab, TST Muhammad… - European journal of …, 2011 - Elsevier
Abstract Peroxisome Proliferator-Activated Receptor γ (PPARγ) activators have drawn great
recent attention in the clinical management of type 2 diabetes mellitus, prompting several …

Characterization of new PPARγ agonists: Benzimidazole derivatives—importance of positions 5 and 6, and computational studies on the binding mode

M Goebel, G Wolber, P Markt, B Staels, T Unger… - Bioorganic & medicinal …, 2010 - Elsevier
In this and previous studies we investigated the importance of partial structures of
Telmisartan on PPARγ activation. The biphenyl-4-ylmethyl moiety at N1 and residues at C2 …

In silico discovery of resveratrol analogues as potential agents in treatment of metabolic disorders

N Pavlović, M Đanić, B Stanimirov… - Current …, 2019 - ingentaconnect.com
Background: Resveratrol was demonstrated to act as partial agonist of PPAR-γ receptor,
which opens up the possibility for its use in the treatment of metabolic disorders …

Construction of a virtual combinatorial library using SMILES strings to discover potential structure-diverse PPAR modulators

C Liao, B Liu, L Shi, J Zhou, XP Lu - European journal of medicinal …, 2005 - Elsevier
Based on the structural characters of PPAR modulators, a virtual combinatorial library
containing 1226, 625 compounds was constructed using SMILES strings. Selected ADME …

Study of the interactions between edaglitazone and ciglitazone with PPARγ and their antiplatelet profile

C Muñoz-Gutiérrez, C Sepúlveda, J Caballero… - Life Sciences, 2017 - Elsevier
Peroxisome proliferator-activated receptor γ (PPARγ) is a ligand-activated transcription
factor with an important role in lipid metabolism, inflammation and cardiovascular diseases …