Structural and energetic basis of interaction between human estrogen-related receptor γ and environmental endocrine disruptors from multiple molecular dynamics …

L Chen, X Huang, Y Li, B Zhao, M Liang… - Journal of Hazardous …, 2023 - Elsevier
Environmental endocrine disruptors (EEDs), a class of molecules that are widespread in our
environment, may adversely affect the endocrine system. Exploring the interactions between …

[HTML][HTML] Structural insight into the mechanisms and interacting features of endocrine disruptor Bisphenol A and its analogs with human estrogen-related receptor …

RK Pathak, JM Kim - Environmental Pollution, 2024 - Elsevier
Bisphenol A (BPA) is a very important chemical from the commercial perspective. Many
useful products are made from it, so its production is increasing day by day. It is widely …

Structures of endocrine-disrupting chemicals determine binding to and activation of the estrogen receptor α and androgen receptor

H Tan, X Wang, H Hong, E Benfenati… - Environmental …, 2020 - ACS Publications
Endocrine-disrupting chemicals (EDCs) can interact with nuclear receptors, including
estrogen receptor α (ERα) and androgen receptor (AR), to affect the normal endocrine …

[HTML][HTML] Deciphering the mechanisms and interactions of the endocrine disruptor bisphenol A and its analogs with the androgen receptor

RK Pathak, DW Jung, SH Shin, BY Ryu, HS Lee… - Journal of Hazardous …, 2024 - Elsevier
Bisphenol A (BPA) and its various forms used as BPA alternatives in industries are
recognized toxic compounds and antiandrogenic endocrine disruptors. These chemicals are …

Effects of the hydroxyl group on phenyl based ligand/ERRγ protein binding

ON Starovoytov, Y Liu, L Tan… - Chemical Research in …, 2014 - ACS Publications
Bisphenol-A (4, 4′-dihydroxy-2, 2-diphenylpropane, BPA, or BPA-A) and its derivatives,
when exposed to humans, may affect functions of multiple organs by specific binding to the …

Phytoestrogens and mycoestrogens induce signature structure dynamics changes on estrogen receptor α

X Chen, U Uzuner, M Li, W Shi, JS Yuan… - International journal of …, 2016 - mdpi.com
Endocrine disrupters include a broad spectrum of chemicals such as industrial chemicals,
natural estrogens and androgens, synthetic estrogens and androgens. Phytoestrogens are …

Molecular docking and molecular dynamics studies on the interactions of hydroxylated polybrominated diphenyl ethers to estrogen receptor alpha

Q Lu, Z Cai, J Fu, S Luo, C Liu, X Li, D Zhao - … and environmental safety, 2014 - Elsevier
Environmental estrogens have attracted great concerns. Recent studies have indicated that
some hydroxylated polybrominated diphenyl ethers (HO-PBDEs) can interact with estrogen …

Computational insights into the molecular interactions of environmental xenoestrogens 4-tert-octylphenol, 4-nonylphenol, bisphenol A (BPA), and BPA metabolite, 4 …

IA Sheikh, IA Tayubi, E Ahmad, MA Ganaie… - Ecotoxicology and …, 2017 - Elsevier
Environmental contamination has been one of the major drawbacks of the industrial
revolution. Several man-made chemicals are constantly released into the environment …

Effects of HO-/MeO-PBDEs on androgen receptor: in vitro investigation and helix 12-involved MD simulation

X Wang, H Yang, X Hu, X Zhang, Q Zhang… - … science & technology, 2013 - ACS Publications
Hydroxylated and methoxylated polybrominated diphenyl ethers (HO-/MeO-PBDEs) have
received increasing attention for their potential endocrine disrupting activities and widely …

[HTML][HTML] The molecular mechanism of bisphenol A (BPA) as an endocrine disruptor by interacting with nuclear receptors: insights from molecular dynamics (MD) …

L Li, Q Wang, Y Zhang, Y Niu, X Yao, H Liu - PloS one, 2015 - journals.plos.org
Bisphenol A (BPA) can interact with nuclear receptors and affect the normal function of
nuclear receptors in very low doses, which causes BPA to be one of the most controversial …