DREAM-in-CDM Approach and Identification of a New Generation of Anti-inflammatory Drugs Targeting mPGES-1

In Silico Observation of the Conformational Opening of the Glutathione-Binding Site of Microsomal Prostaglandin E2 Synthase-1

(2019) Shuo Zhou et al.   Journal of Chemical Information and Modeling

Design, synthesis, and discovery of 5-((1,3-diphenyl-1 H -pyrazol-4-yl)methylene)pyrimidine-2,4,6(1 H ,3 H ,5 H )-triones and related derivatives as novel inhibitors of mPGES-1

(2018) Kai Ding et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Fatty Acid Binding to the Allosteric Subunit of Cyclooxygenase-2 Relieves a Tonic Inhibition of the Catalytic Subunit

(2016) Liang Dong et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Perspective of microsomal prostaglandin E2 synthase-1 as drug target in inflammation-related disorders

(2015) Andreas Koeberle et al.   BIOCHEMICAL PHARMACOLOGY

Pharmacodynamic comparison of LY3023703, a novel microsomal prostaglandin e synthase 1 inhibitor, with celecoxib

(2015) Y Jin et al.   CLINICAL PHARMACOLOGY & THERAPEUTICS

Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors

(2015) Matthew A. Schiffler et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structural Insights for the Optimization of Dihydropyrimidin-2(1H)-one Based mPGES-1 Inhibitors

(2015) Stefania Terracciano et al.   ACS Medicinal Chemistry Letters

Benzo[d]isothiazole 1,1-dioxide derivatives as dual functional inhibitors of 5-lipoxygenase and microsomal prostaglandin E2 synthase-1

(2014) Erchang Shang et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Phase I Dose-Escalation Study of 5-Day Intermittent Oral Lapatinib Therapy in Patients With Human Epidermal Growth Factor Receptor 2–Overexpressing Breast Cancer

(2014) A. Jo Chien et al.   JOURNAL OF CLINICAL ONCOLOGY

7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors

(2013) Tomoya Shiro et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Synthesis and biological evaluation of substituted imidazoquinoline derivatives as mPGES-1 inhibitors

(2013) Tomoya Shiro et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Aminothiazole-Featured Pirinixic Acid Derivatives As Dual 5-Lipoxygenase and Microsomal Prostaglandin E2 Synthase-1 Inhibitors with Improved Potency and Efficiency in Vivo

(2013) Thomas Hanke et al.   JOURNAL OF MEDICINAL CHEMISTRY

Physiologically based pharmacokinetic model of lapatinib developed in mice and scaled to humans

(2013) Susan F. Hudachek et al.   JOURNAL OF PHARMACOKINETICS AND PHARMACODYNAMICS

Synthesis and biological evaluation of substituted benzoxazoles as inhibitors of mPGES-1: Use of a conformation-based hypothesis to facilitate compound design

(2012) Daniel P. Walker et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Fragment-based discovery of novel and selective mPGES-1 inhibitors Part 1: Identification of sulfonamido-1,2,3-triazole-4,5-dicarboxylic acid

(2012) Kijae Lee et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Design and synthesis of a second series of triazole-based compounds as potent dual mPGES-1 and 5-lipoxygenase inhibitors

(2012) Maria Giovanna Chini et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

Novel human mPGES-1 inhibitors identified through structure-based virtual screening

(2011) Adel Hamza et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Synthesis and SAR study of imidazoquinolines as a novel structural class of microsomal prostaglandin E2 synthase-1 inhibitors

(2011) Tomoya Shiro et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Pyrrole alkanoic acid derivatives as nuisance inhibitors of microsomal prostaglandin E2 synthase-1

(2011) Andrea Wiegard et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Discovery and Biological Evaluation of a Novel Class of Dual Microsomal Prostaglandin E2Synthase-1/5-lipoxygenase Inhibitors Based on 2-[(4,6-Diphenethoxypyrimidin-2-yl)thio]hexanoic Acid

(2011) Martina Hieke et al.   JOURNAL OF MEDICINAL CHEMISTRY

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Biarylimidazoles as inhibitors of microsomal prostaglandin E2 synthase-1

(2010) Tom Y.H. Wu et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Selective inducible microsomal prostaglandin E2 synthase-1 (mPGES-1) inhibitors derived from an oxicam template

(2010) Jane Wang et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Understanding Microscopic Binding of Human Microsomal Prostaglandin E Synthase-1 (mPGES-1) Trimer with Substrate PGH2and Cofactor GSH: Insights from Computational Alanine Scanning and Site-directed Mutagenesis

(2010) Adel Hamza et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effects of AF3442 [ N -(9-ethyl-9 H -carbazol-3-yl)-2-(trifluoromethyl)benzamide], a novel inhibitor of human microsomal prostaglandin E synthase-1, on prostanoid biosynthesis in human monocytes in vitro

(2009) Annalisa Bruno et al.   BIOCHEMICAL PHARMACOLOGY

Discovery of benzo[g]indol-3-carboxylates as potent inhibitors of microsomal prostaglandin E2 synthase-1

(2009) Andreas Koeberle et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Discovery of disubstituted phenanthrene imidazoles as potent, selective and orally active mPGES-1 inhibitors

(2009) André Giroux et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Binding Estimation after Refinement, a New Automated Procedure for the Refinement and Rescoring of Docked Ligands in Virtual Screening

(2009) Giulio Rastelli et al.   Chemical Biology & Drug Design

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Arylpyrrolizines as Inhibitors of Microsomal Prostaglandin E2Synthase-1 (mPGES-1) or as Dual Inhibitors of mPGES-1 and 5-Lipoxygenase (5-LOX)

(2009) Andy J. Liedtke et al.   JOURNAL OF MEDICINAL CHEMISTRY

Microsomal prostaglandin E synthase 1 determines tumor growth in vivo of prostate and lung cancer cells

(2009) H. Hanaka et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

MF63 [2-(6-Chloro-1H-phenanthro[9,10-d]imidazol-2-yl)-isophthalonitrile], a Selective Microsomal Prostaglandin E Synthase-1 Inhibitor, Relieves Pyresis and Pain in Preclinical Models of Inflammation

(2008) D. Xu et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS