Anti-estrogenic activity of tris(2,3-dibromopropyl) isocyanurate through disruption of co-activator recruitment: experimental and computational studies

Structure-Dependent Hematological Effects of Per- and Polyfluoroalkyl Substances on Activation of Plasma Kallikrein–Kinin System Cascade

(2017) Qian S. Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Understanding the microscopic binding mechanism of hydroxylated and sulfated polybrominated diphenyl ethers with transthyretin by molecular docking, molecular dynamics simulations and binding free energy calculations

(2017) Huiming Cao et al.   Molecular BioSystems

Information-dependent enrichment analysis reveals time-dependent transcriptional regulation of the estrogen pathway of toxicity

(2016) Salil N. Pendse et al.   ARCHIVES OF TOXICOLOGY

Identification of protein tyrosine phosphatase SHP-2 as a new target of perfluoroalkyl acids in HepG2 cells

(2016) Yu Yang et al.   ARCHIVES OF TOXICOLOGY

Effects of tris(2,3-dibromopropyl) isocyanurate on steroidogenesis in H295R cells

(2016) Xun Li et al.   Environmental Earth Sciences

Deciphering the Complexity of Ligand–Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations

(2016) Alberto Cuzzolin et al.   Journal of Chemical Information and Modeling

Determination of heterocyclic brominated flame retardants tris-(2, 3-dibromopropyl) isocyanurate and hexabromocyclododecane in sediment from Jiaozhou Bay wetland

(2016) Ling Wang et al.   MARINE POLLUTION BULLETIN

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Identification of an allosteric binding site for RORγt inhibition

(2015) Marcel Scheepstra et al.   Nature Communications

Tris-(2,3-Dibromopropyl) Isocyanurate, a New Emerging Pollutant, Impairs Cognition and Provokes Depression-Like Behaviors in Adult Rats

(2015) Liang Ye et al.   PLoS One

Structure–activity relations in binding of perfluoroalkyl compounds to human thyroid hormone T3 receptor

(2014) Xiao-Min Ren et al.   ARCHIVES OF TOXICOLOGY

Interaction of perfluoroalkyl acids with human liver fatty acid-binding protein

(2014) Nan Sheng et al.   ARCHIVES OF TOXICOLOGY

Assessing developmental toxicity and estrogenic activity of halogenated bisphenol A on zebrafish (Danio rerio)

(2014) Maoyong Song et al.   CHEMOSPHERE

Toxicity of new emerging pollutant tris-(2,3-dibromopropyl) isocyanurate on BALB/c mice

(2014) Juan Li et al.   JOURNAL OF APPLIED TOXICOLOGY

Thein Vitroestrogenic activities of triclosan and triclocarban

(2014) Hongyu Huang et al.   JOURNAL OF APPLIED TOXICOLOGY

Structural Insights into the Molecular Mechanism of Vitamin D Receptor Activation by Lithocholic Acid Involving a New Mode of Ligand Recognition

(2014) Anna Y. Belorusova et al.   JOURNAL OF MEDICINAL CHEMISTRY

Identification of a New Hormone-Binding Site on the Surface of Thyroid Hormone Receptor

(2014) P.C.T. Souza et al.   MOLECULAR ENDOCRINOLOGY

istar: A Web Platform for Large-Scale Protein-Ligand Docking

(2014) Hongjian Li et al.   PLoS One

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Molecular interaction of PCB153 to human serum albumin: Insights from spectroscopic and molecular modeling studies

(2013) Chao Han et al.   JOURNAL OF HAZARDOUS MATERIALS

Molecular Mechanism of Peroxisome Proliferator-Activated Receptor α Activation by WY14643: a New Mode of Ligand Recognition and Receptor Stabilization

(2013) Amanda Bernardes et al.   JOURNAL OF MOLECULAR BIOLOGY

Spatial distribution and inter-year variation of hexabromocyclododecane (HBCD) and tris-(2,3-dibromopropyl) isocyanurate (TBC) in farm soils at a peri-urban region

(2012) Thanh Wang et al.   CHEMOSPHERE

Tris(2,3-dibromopropyl) Isocyanurate, Hexabromocyclododecanes, and Polybrominated Diphenyl Ethers in Mollusks from Chinese Bohai Sea

(2012) Nali Zhu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

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

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

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations

(2012) R. Anandakrishnan et al.   NUCLEIC ACIDS RESEARCH

Toxicity of the brominated flame retardant tris-(2,3-dibromopropyl) isocyanurate in zebrafish (Danio rerio)

(2011) Xu Zhang et al.   CHINESE SCIENCE BULLETIN

The in Vitro Estrogenic Activities of Polyfluorinated Iodine Alkanes

(2011) Chang Wang et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Impaired Gas Bladder Inflation in Zebrafish Exposed to a Novel Heterocyclic Brominated Flame Retardant Tris(2,3-dibromopropyl) Isocyanurate

(2011) Juan Li et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Detection of tris-(2, 3-dibromopropyl) isocyanurate as a neuronal toxicant in environmental samples using neuronal toxicity-directed analysis

(2011) GuangBo Qu et al.   Science China-Chemistry

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

(2010) Tingjun Hou et al.   Journal of Chemical Information and Modeling

Anacardic Acid Inhibits Estrogen Receptor  -DNA Binding and Reduces Target Gene Transcription and Breast Cancer Cell Proliferation

(2010) D. J. Schultz et al.   MOLECULAR CANCER THERAPEUTICS

Identification and Evaluation of a Novel Heterocyclic Brominated Flame Retardant Tris(2,3-dibromopropyl) Isocyanurate in Environmental Matrices near a Manufacturing Plant in Southern China

(2009) Ting Ruan et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Hydroxylated Metabolites of the Polybrominated Diphenyl Ether Mixture DE-71 Are Weak Estrogen Receptor-α Ligands

(2008) Minerva Mercado-Feliciano et al.   ENVIRONMENTAL HEALTH PERSPECTIVES

Blocking Estrogen Signaling After the Hormone: Pyrimidine-Core Inhibitors of Estrogen Receptor-Coactivator Binding

(2008) Alexander A. Parent et al.   JOURNAL OF MEDICINAL CHEMISTRY