Enhanced Disrupting Effect of Benzophenone-1 Chlorination Byproducts to the Androgen Receptor: Cell-Based Assays and Gaussian Accelerated Molecular Dynamics Simulations

Structure-based discovery of the endocrine disrupting effects of hydraulic fracturing chemicals as novel androgen receptor antagonists

(2020) Phum Tachachartvanich et al.   CHEMOSPHERE

Quantification of the uncertainties in extrapolating from in vitro androgen receptor (AR) antagonism to in vivo Hershberger Assay endpoints and adverse reproductive development in male rats

(2020) L E Gray et al.   TOXICOLOGICAL SCIENCES

Structures of Endocrine-Disrupting Chemicals Determine Binding to and Activation of the Estrogen Receptor α and Androgen Receptor

(2020) Haoyue Tan et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Novel Disinfection Byproducts Formed from the Pharmaceutical Gemfibrozil Are Bioaccumulative and Elicit Increased Toxicity Relative to the Parent Compound in Marine Polychaetes (Neanthes arenaceodentata)

(2020) Nicolette E. Andrzejczyk et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Pentabromoethylbenzene Exposure Induces Transcriptome Aberration and Thyroid Dysfunction: In Vitro, in Silico, and in Vivo Investigations

(2020) Liping Lu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Formation of novel disinfection by-products chlorinated benzoquinone, phenyl benzoquinones and polycyclic aromatic hydrocarbons during chlorination treatment on UV filter 2,4-dihydroxybenzophenone in swimming pool water

(2019) Xuefeng Sun et al.   JOURNAL OF HAZARDOUS MATERIALS

A new class of AR antagonists?

(2019) Annette Fenner   Nature Reviews Urology

Molecular Initiating Events of Bisphenols on Androgen Receptor-Mediated Pathways Provide Guidelines for in Silico Screening and Design of Substitute Compounds

(2019) Qinchang Chen et al.   Environmental Science & Technology Letters

Degradation of benzophenone-4 in a UV/chlorine disinfection process: Mechanism and toxicity evaluation

(2019) Xiaorui Jia et al.   CHEMOSPHERE

Advanced data mining approaches in the assessment of urinary concentrations of bisphenols, chlorophenols, parabens and benzophenones in Brazilian children and their association to DNA damage

(2018) Bruno A. Rocha et al.   ENVIRONMENT INTERNATIONAL

Thyroid Disruption by Bisphenol S Analogues via Thyroid Hormone Receptor β: in Vitro, in Vivo, and Molecular Dynamics Simulation Study

(2018) Liping Lu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Urinary concentrations of benzophenone-type ultra violet light filters and reproductive parameters in young men

(2018) Evdochia Adoamnei et al.   INTERNATIONAL JOURNAL OF HYGIENE AND ENVIRONMENTAL HEALTH

Identification of the disinfection byproducts of bisphenol S and the disrupting effect on peroxisome proliferator-activated receptor gamma (PPARγ) induced by chlorination

(2018) Sai Zheng et al.   WATER RESEARCH

Structural Changes Due to Antagonist Binding in Ligand Binding Pocket of Androgen Receptor Elucidated Through Molecular Dynamics Simulations

(2018) Sugunadevi Sakkiah et al.   Frontiers in Pharmacology

Gaussian accelerated molecular dynamics for elucidation of drug pathways

(2018) Apurba Bhattarai et al.   Expert Opinion on Drug Discovery

Transformation of endocrine disrupting chemicals, pharmaceutical and personal care products during drinking water disinfection

(2018) Frederic D.L. Leusch et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Exposure to UV filters during summer and winter in Danish kindergarten children

(2017) Marianna Krause et al.   ENVIRONMENT INTERNATIONAL

Side Chains of Parabens Modulate Antiandrogenic Activity: In Vitro and Molecular Docking Studies

(2017) Keke Ding et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Discovery of a widespread metabolic pathway within and among phenolic xenobiotics

(2017) Pahriya Ashrap et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Occurrence of and human exposure to parabens, benzophenones, benzotriazoles, triclosan and triclocarban in outdoor swimming pool water in Changsha, China

(2017) Jing Lu et al.   SCIENCE OF THE TOTAL ENVIRONMENT

In vitro and in silico investigations of the binary-mixture toxicity of phthalate esters and cadmium (II) to Vibrio qinghaiensis sp.-Q67

(2017) Keke Ding et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Chlorination of oxybenzone: Kinetics, transformation, disinfection byproducts formation, and genotoxicity changes

(2016) Shujuan Zhang et al.   CHEMOSPHERE

Occurrence of pharmaceuticals and UV filters in swimming pools and spas

(2016) Yuli Ekowati et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Simultaneous determination of cosmetics ingredients in nail products by fast gas chromatography with tandem mass spectrometry

(2016) Wanlong Zhou et al.   JOURNAL OF CHROMATOGRAPHY A

Transformation of benzophenone-type UV filters by chlorine: Kinetics, products identification and toxicity assessments

(2016) Jian Li et al.   JOURNAL OF HAZARDOUS MATERIALS

Occurrence and health risk assessment of halogenated disinfection byproducts in indoor swimming pool water

(2016) Chen Hang et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Chlorination of bisphenol F and the estrogenic and peroxisome proliferator-activated receptor gamma effects of its disinfection byproducts

(2016) Sai Zheng et al.   WATER RESEARCH

Benzonphenone-type UV filters in urine of Chinese young adults: Concentration, source and exposure

(2015) Chong-jing Gao et al.   ENVIRONMENTAL POLLUTION

Degradation Products of Benzophenone-3 in Chlorinated Seawater Swimming Pools

(2015) Tarek Manasfi et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation

(2015) Yinglong Miao et al.   Journal of Chemical Theory and Computation

Benzophenone 1 induced photogenotoxicity and apoptosis via release of cytochrome c and Smac/DIABLO at environmental UV radiation

(2015) Saroj Kumar Amar et al.   TOXICOLOGY LETTERS

Acute toxicity formation potential of benzophenone-type UV filters in chlorination disinfection process

(2014) Qi Liu et al.   JOURNAL OF ENVIRONMENTAL SCIENCES

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald

(2013) Romelia Salomon-Ferrer et al.   Journal of Chemical Theory and Computation

Estrogenic Potency of Benzophenone UV Filters in Breast Cancer Cells: Proliferative and Transcriptional Activity Substantiated by Docking Analysis

(2013) Gwenneg Kerdivel et al.   PLoS One

Low-dose effects of bisphenol A on early sexual development in male and female rats

(2013) Sofie Christiansen et al.   REPRODUCTION

Transformation mechanism of benzophenone-4 in free chlorine promoted chlorination disinfection

(2013) Ming Xiao et al.   WATER RESEARCH

Analytical and Biological Characterization of Halogenated Gemfibrozil Produced through Chlorination of Wastewater

(2012) Daryl N. Bulloch et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Urinary Concentrations of Benzophenone-type UV Filters in U.S. Women and Their Association with Endometriosis

(2012) Tatsuya Kunisue et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

An overview of the Amber biomolecular simulation package

(2012) Romelia Salomon-Ferrer et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Analysis of salicylate and benzophenone-type UV filters in soils and sediments by simultaneous extraction cleanup and gas chromatography–mass spectrometry

(2011) Consuelo Sánchez-Brunete et al.   JOURNAL OF CHROMATOGRAPHY A

Disruption of androgen receptor signaling in males by environmental chemicals

(2011) Doug C. Luccio-Camelo et al.   JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY

An improved generalized AMBER force field (GAFF) for urea

(2010) Gül Altınbaş Özpınar et al.   JOURNAL OF MOLECULAR MODELING

Sensitive determination of salicylate and benzophenone type UV filters in water samples using solid-phase microextraction, derivatization and gas chromatography tandem mass spectrometry

(2009) N. Negreira et al.   ANALYTICA CHIMICA ACTA

Profiling of benzophenone derivatives using fish and human estrogen receptor-specific in vitro bioassays

(2008) José-Manuel Molina-Molina et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY