Probing the intermolecular interactions of PPARγ-LBD with polyunsaturated fatty acids and their anti-inflammatory metabolites to infer most potential binding moieties

Virtual screening, molecular dynamics, and binding free energy calculations on human carbonic anhydrase IX catalytic domain for deciphering potential leads

(2016) Arun John et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Lipid-modifying effects of nutraceuticals: An evidence-based approach

(2016) Amirhossein Sahebkar et al.   NUTRITION

State of the art paper Potential role of dietary lipids in the prophylaxis of some clinical conditions

(2015) Urvashi Bhagat et al.   Archives of Medical Science

The New Antitumor Drug ABTL0812 Inhibits the Akt/mTORC1 Axis by Upregulating Tribbles-3 Pseudokinase

(2015) T. Erazo et al.   CLINICAL CANCER RESEARCH

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

(2015) Samuel Genheden et al.   Expert Opinion on Drug Discovery

Lipids, blood pressure and kidney update 2015

(2015) Maciej Banach et al.   Lipids in Health and Disease

Natural product agonists of peroxisome proliferator-activated receptor gamma (PPARγ): a review

(2014) Limei Wang et al.   BIOCHEMICAL PHARMACOLOGY

Peroxisome proliferator-activated receptors and their ligands: nutritional and clinical implications - a review

(2014) Bogna Grygiel-Górniak   Nutrition Journal

Coffee component hydroxyl hydroquinone (HHQ) as a putative ligand for PPAR gamma and implications in breast cancer

(2013) Babita Shashni et al.   BMC GENOMICS

Measuring and comparing structural fluctuation patterns in large protein datasets

(2012) Edvin Fuglebakk et al.   BIOINFORMATICS

PPAR agonists for the treatment of cardiovascular disease in patients with diabetes

(2012) J. P. H. Wilding   DIABETES OBESITY & METABOLISM

Accurate Force Field Development for Modeling Conjugated Polymers

(2012) Kateri H. DuBay et al.   Journal of Chemical Theory and Computation

Agonistic effect of polyunsaturated fatty acids (PUFAs) and its metabolites on brain-derived neurotrophic factor (BDNF) through molecular docking simulation

(2012) Umashankar Vetrivel et al.   Lipids in Health and Disease

Managing the Dyslipidemia of Metabolic Syndrome: Beyond Statin Therapy

(2012) Ishwarlal Jialal et al.   Metabolic Syndrome and Related Disorders

The intestinal bioavailability of vaccenic acid and activation of peroxisome proliferator-activated receptor-α and -γ in a rodent model of dyslipidemia and the metabolic syndrome

(2012) Ye Wang et al.   MOLECULAR NUTRITION & FOOD RESEARCH

Identification of PPARgamma Partial Agonists of Natural Origin (I): Development of a Virtual Screening Procedure and In Vitro Validation

(2012) Laura Guasch et al.   PLoS One

Modulation of PPAR-γby Nutraceutics as Complementary Treatment for Obesity-Related Disorders and Inflammatory Diseases

(2012) D. Ortuño Sahagún et al.   PPAR Research

The PPAR Gamma Agonist Troglitazone Regulates Erk 1/2 Phosphorylation via a PPARγ-Independent, MEK-Dependent Pathway in Human Prostate Cancer Cells

(2012) Adrienne Bolden et al.   PPAR Research

PPAR gamma, bioactive lipids, and cancer progression

(2011) Gregory et al.   Frontiers in Bioscience-Landmark

Structural insights for the design of new PPARgamma partial agonists with high binding affinity and low transactivation activity

(2011) Laura Guasch et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Preoperative n-3 Polyunsatured Fatty Acids Are Associated With a Decrease in the Incidence of Early Atrial Fibrillation Following Cardiac Surgery

(2010) Giovanni Mariscalco et al.   ANGIOLOGY

Omega-3 Essential Fatty Acids Modulate Initiation and Progression of Neurodegenerative Disease

(2010) R. Palacios-Pelaez et al.   MOLECULAR NEUROBIOLOGY

Structural Insight into PPARγ Ligands Binding

(2009) A. Farce et al.   CURRENT MEDICINAL CHEMISTRY

Important pharmacophoric features of pan PPAR agonists: Common chemical feature analysis and virtual screening

(2009) Sandeep Sundriyal et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Obesity-induced insulin resistance and hepatic steatosis are alleviated by ω-3 fatty acids: a role for resolvins and protectins

(2009) Ana González-Périz et al.   FASEB JOURNAL

An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware

(2009) M. J. Harvey et al.   Journal of Chemical Theory and Computation

Anti-Inflammatory and Proresolving Lipid Mediators

(2008) Charles N. Serhan et al.   Annual Review of Pathology-Mechanisms of Disease

Implementations of Nosé–Hoover and Nosé–Poincaré thermostats in mesoscopic dynamic simulations with the united-residue model of a polypeptide chain

(2008) Dana S. Kleinerman et al.   JOURNAL OF CHEMICAL PHYSICS

Radius of gyration as an indicator of protein structure compactness

(2008) M. Yu. Lobanov et al.   MOLECULAR BIOLOGY

Structural basis for the activation of PPARγ by oxidized fatty acids

(2008) Toshimasa Itoh et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY