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Structure–activity relationship study on the binding of PBDEs with thyroxine transport proteins

https://doi.org/10.1002/etc.645
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/mnfr.200700104openalex-snapshot
Biotransformation of brominated flame retardants into potentially endocrine‐disrupting metabolites, with special attention to 2,2′,4,4′‐tetrabromodiphenyl ether (BDE‐47)
inferredcites →https://doi.org/10.1016/j.chemosphere.2008.09.050openalex-snapshot
Occurrence and congener specific profiles of polybrominated diphenyl ethers and their hydroxylated and methoxylated derivatives in breast milk from Catalonia
inferredcites →https://doi.org/10.1016/j.envint.2008.09.011openalex-snapshot
Polybrominated diphenyl ether (PBDE) levels in dust from previously owned automobiles at United States dealerships
inferredcites →https://doi.org/10.1016/j.jhazmat.2011.03.008openalex-snapshot
QSAR classification models for the prediction of endocrine disrupting activity of brominated flame retardants
inferredcites →https://doi.org/10.1016/j.taap.2007.09.025openalex-snapshot
Inhibition of human placental aromatase activity by hydroxylated polybrominated diphenyl ethers (OH-PBDEs)
inferredcites →https://doi.org/10.1016/j.toxlet.2007.12.001openalex-snapshot
Effects of 20 PBDE metabolites on steroidogenesis in the H295R cell line
inferredcites →https://doi.org/10.1016/s0045-6535(01)00239-9openalex-snapshot
A perspective on the potential health risks of PBDEs
inferredcites →https://doi.org/10.1016/s0160-4120(03)00104-1openalex-snapshot
Are brominated flame retardants endocrine disruptors?
inferredcites →https://doi.org/10.1016/s0166-1280(02)00623-1openalex-snapshot
QSAR models in receptor-mediated effects: the nuclear receptor superfamily
inferredcites →https://doi.org/10.1016/s1093-3263(01)00123-1openalex-snapshot
Beware of q2!
inferredcites →https://doi.org/10.1021/ci900056copenalex-snapshot
Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy
inferredcites →https://doi.org/10.1021/es050399xopenalex-snapshot
Polybrominated Diphenyl Ethers and Polychlorinated Biphenyls in Human Adipose Tissue from New York
inferredcites →https://doi.org/10.1021/es901357uopenalex-snapshot
Origin of Hydroxylated Brominated Diphenyl Ethers: Natural Compounds or Man-Made Flame Retardants?
inferredcites →https://doi.org/10.1021/jm0495879openalex-snapshot
Three-Dimensional Structure−Activity Relationships of Nonsteroidal Ligands in Complex with Androgen Receptor Ligand-Binding Domain
inferredcites →https://doi.org/10.1021/jm970732aopenalex-snapshot
Three-Dimensional Quantitative Similarity−Activity Relationships (3D QSiAR) from SEAL Similarity Matrices
inferredcites →https://doi.org/10.1021/jp803403copenalex-snapshot
Only Subtle Protein Conformational Adaptations Are Required for Ligand Binding to Thyroid Hormone Receptors: Simulations Using a Novel Multipoint Steered Molecular Dynamics Approach
inferredcites →https://doi.org/10.1021/tx0601509openalex-snapshot
QSAR Prediction of Estrogen Activity for a Large Set of Diverse Chemicals under the Guidance of OECD Principles
inferredcites →https://doi.org/10.1021/tx1000392openalex-snapshot
QSAR Modeling and Prediction of the Endocrine-Disrupting Potencies of Brominated Flame Retardants
inferredcites →https://doi.org/10.1023/a:1023888813526openalex-snapshot
Development of biologically active compounds by combining 3D QSAR and structure-based design methods
inferredcites →https://doi.org/10.1080/02772240600605087openalex-snapshot
Partitioning of polybrominated diphenyl ether (PBDE) congeners in human blood and milk
inferredcites →https://doi.org/10.1093/toxsci/56.1.95openalex-snapshot
Potent Competitive Interactions of Some Brominated Flame Retardants and Related Compounds with Human Transthyretin in Vitro
inferredcites →https://doi.org/10.1093/toxsci/kfj187openalex-snapshot
In Vitro Profiling of the Endocrine-Disrupting Potency of Brominated Flame Retardants
inferredcites →https://doi.org/10.1107/s0907444900008568openalex-snapshot
Structure of human transthyretin complexed with bromophenols: a new mode of binding
inferredcites →https://doi.org/10.1289/ehp.10713openalex-snapshot
Polybrominated Diphenyl Ethers (PBDEs) and Bioaccumulative Hydroxylated PBDE Metabolites in Young Humans from Managua, Nicaragua
inferredcites →https://doi.org/10.1289/ehp.11343openalex-snapshot
Hydroxylated Metabolites of the Polybrominated Diphenyl Ether Mixture DE-71 Are Weak Estrogen Receptor-α Ligands
inferredcites →https://doi.org/10.1289/ehp.11660openalex-snapshot
Hydroxylated Metabolites of Polybrominated Diphenyl Ethers in Human Blood Samples from the United States
inferredcites →https://doi.org/10.1289/ehp.6466openalex-snapshot
Polybrominated diphenyl ethers (PBDEs) in U.S. mothers' milk.
inferredcites →https://doi.org/10.1897/06-308r.1openalex-snapshot
Quantitative structure-activity relationship modeling on in vitro endocrine effects and metabolic stability involving 26 selected brominated flame retardants

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1007/s10695-012-9768-0openalex-snapshot
Effects of dietary exposure to brominated flame retardant BDE-47 on thyroid condition, gonadal development and growth of zebrafish
inferred← citeshttps://doi.org/10.1007/s11030-014-9556-0openalex-snapshot
3D-QSAR modeling and molecular docking study on Mer kinase inhibitors of pyridine-substituted pyrimidines
inferred← citeshttps://doi.org/10.1007/s11224-020-01664-zopenalex-snapshot
Endocrine-disrupting potential of polybrominated diphenyl ethers (PBDEs) on androgen receptor signaling: a structural insight
inferred← citeshttps://doi.org/10.1007/s11356-020-09913-8openalex-snapshot
Structural studies on the endocrine-disrupting role of polybrominated diphenyl ethers (PBDEs) in thyroid diseases
inferred← citeshttps://doi.org/10.1016/b978-0-443-15339-6.00024-2openalex-snapshot
(Q)SAR models on transthyretin disrupting effects of chemicals
inferred← citeshttps://doi.org/10.1016/b978-0-444-59395-5.00005-4openalex-snapshot
Thinking Outside the Box
inferred← citeshttps://doi.org/10.1016/b978-0-444-63299-9.00017-xopenalex-snapshot
QSARs on the Thyroid Hormone Effects of Polybrominated Diphenyl Ether (PBDE) Derivatives
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2013.04.022openalex-snapshot
In silico investigations of anti-androgen activity of polychlorinated biphenyls
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2015.07.036openalex-snapshot
Identifying potential endocrine disruptors among industrial chemicals and their metabolites – development and evaluation of in silico tools
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2017.05.016openalex-snapshot
Different binding mechanisms of neutral and anionic poly-/perfluorinated chemicals to human transthyretin revealed by In silico models
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2019.125774openalex-snapshot
Rno-miR-224–5p contributes to 2,2′,4,4′-tetrabromodiphenyl ether-induced low triiodothyronine in rats by targeting deiodinases
inferred← citeshttps://doi.org/10.1016/j.cplett.2016.08.042openalex-snapshot
3D-QSAR study and design of 4-hydroxyamino α-pyranone carboxamide analogues as potential anti-HCV agents
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2013.03.008openalex-snapshot
In silico study on hydroxylated polychlorinated biphenyls as androgen receptor antagonists
inferred← citeshttps://doi.org/10.1016/j.envint.2014.07.002openalex-snapshot
Polybrominated diphenyl ethers (PBDEs) in human samples of mother–newborn pairs in South China and their placental transfer characteristics
inferred← citeshttps://doi.org/10.1016/j.envres.2018.01.041openalex-snapshot
Sperm quality biomarkers complement reproductive and endocrine parameters in investigating environmental contaminants in common carp (Cyprinus carpio) from the Lake Mead National Recreation Area
inferred← citeshttps://doi.org/10.1016/j.etap.2017.06.005openalex-snapshot
Interaction studies of polybrominated diphenyl ethers (PBDEs) with human serum albumin (HSA): Molecular docking investigations
inferred← citeshttps://doi.org/10.1016/j.ijms.2013.10.007openalex-snapshot
Investigation of noncovalent interactions between hydroxylated polybrominated diphenyl ethers and bovine serum albumin using electrospray ionization-ion mobility-mass spectrometry
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2024.136188openalex-snapshot
In silico models for the screening of human transthyretin disruptors
inferred← citeshttps://doi.org/10.1016/j.mce.2017.01.026openalex-snapshot
Structural aspects of thyroid hormone binding to proteins and competitive interactions with natural and synthetic compounds
inferred← citeshttps://doi.org/10.1016/j.molstruc.2016.03.073openalex-snapshot
3D-QSAR and molecular docking studies on designing inhibitors of the hepatitis C virus NS5B polymerase
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2012.08.072openalex-snapshot
Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on estrogenic activity of hydroxylated polychlorinated biphenyls
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2013.09.097openalex-snapshot
Assessing reproductive and endocrine parameters in male largescale suckers (Catostomus macrocheilus) along a contaminant gradient in the lower Columbia River, USA
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2020.136987openalex-snapshot
Evaluation and mechanistic study of chlordecone-induced thyroid disruption: Based on in vivo, in vitro and in silico assays
inferred← citeshttps://doi.org/10.1021/acs.est.6b02029openalex-snapshot
Identification of Thyroid Hormone Disruptors among HO-PBDEs: In Vitro Investigations and Coregulator Involved Simulations
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c02221openalex-snapshot
Repurposing of Agrochemicals as ATTRv Amyloidosis Inhibitors
inferred← citeshttps://doi.org/10.1021/acssuschemeng.1c00680openalex-snapshot
Rapid Screening of Human Transthyretin Disruptors through a Tiered in Silico Approach
inferred← citeshttps://doi.org/10.1021/tx4001557openalex-snapshot
Anionic Phenolic Compounds Bind Stronger with Transthyretin than Their Neutral Forms: Nonnegligible Mechanisms in Virtual Screening of Endocrine Disrupting Chemicals
inferred← citeshttps://doi.org/10.1039/c6mb00638hopenalex-snapshot
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
inferred← citeshttps://doi.org/10.1080/1062936x.2012.729225openalex-snapshot
Analysis of Ah receptor binding affinities of polybrominated diphenyl ethers via in silico molecular docking and 3D-QSAR
inferred← citeshttps://doi.org/10.1093/toxsci/kfs082openalex-snapshot
Gestational Exposure to BDE-99 Produces Toxicity Through Upregulation of CYP Isoforms and ROS Production in the Fetal Rat Liver
inferred← citeshttps://doi.org/10.1093/toxsci/kft257openalex-snapshot
Perinatal Exposure to BDE-99 Causes Decreased Protein Levels of Cyclin D1 via GSK3β Activation and Increased ROS Production in Rat Pup Livers
inferred← citeshttps://doi.org/10.1093/toxsci/kfw129openalex-snapshot
Mechanisms of Action Point Towards Combined PBDE/NDL-PCB Risk Assessment
inferred← citeshttps://doi.org/10.1186/s13065-018-0389-2openalex-snapshot
Relationship between the binding free energy and PCBs’ migration, persistence, toxicity and bioaccumulation using a combination of the molecular docking method and 3D-QSAR
inferred← citeshttps://doi.org/10.21203/rs.3.rs-743611/v1openalex-snapshot
Dietary Exposure To Thyroid Disrupting Chemicals: A Community-Based Study in Newfoundland (Canada)
inferred← citeshttps://doi.org/10.2174/1573406419666230414144825openalex-snapshot
Tit Structure-activity Relationship Study and Design of Novel 1, 8- Naphthimide Derivatives as Potential DNA-targeting Chemotherapeutic Agents for Osteosarcoma
inferred← citeshttps://doi.org/10.2903/j.efsa.2024.8497openalex-snapshot
Update of the risk assessment of polybrominated diphenyl ethers (PBDEs) in food
inferred← citeshttps://doi.org/10.3389/fmolb.2023.1164349openalex-snapshot
3D- and 2D-QSAR models’ study and molecular docking of novel nitrogen-mustard compounds for osteosarcoma
inferred← citeshttps://doi.org/10.3389/fphar.2023.1124895openalex-snapshot
3D,2D-QSAR study and docking of novel quinazolines as potential target drugs for osteosarcoma
inferred← citeshttps://doi.org/10.3389/fphar.2023.1185004openalex-snapshot
QSAR and molecular docking studies on designing potent inhibitors of SARS-CoVs main protease
inferred← citeshttps://doi.org/10.3390/toxics14030240openalex-snapshot
Machine Learning Prediction of Transthyretin Binding for Thyroid Hormone Transport Disruption for Chemical Risk Assessment
inferred← citeshttps://doi.org/10.48336/eepd-pq32openalex-snapshot
A fine kettle of fish: marine fish consumption, endocrine disrupting chemicals and thyroid hormones in rural Newfoundland.
inferred← citeshttps://doi.org/10.5012/bkcs.2013.34.8.2387openalex-snapshot
3D-QSAR and Molecular Docking Studies on Benzotriazoles as Antiproliferative Agents and Histone Deacetylase Inhibitors
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