Exploring the toxic effects and mechanism of methoxylated polybrominated diphenyl ethers (MeO‐PBDEs) on thyroxine‐binding globulin (TBG): Synergy between spectroscopic and computations

Huang, Muwei; Huang, Xiaomei; Zuo, Yanqiu; Yi, Zhongsheng; Liu, Hongyan

doi:10.1002/bio.4103

Cited by 2 publications

(3 citation statements)

References 52 publications

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“…A distinction could be made between the two mechanisms according to the relationship between the quenching constant ( K sv ) and temperature. The quenching type, binding constant, and binding site could be calculated using the Stem‐Volmer and double logarithmic curve equation 27,28

F_{0} / F goodbreak= 1 goodbreak+ K_{SV} ([], Q) goodbreak= 1 goodbreak+ k_{q} τ_{0} ([], Q)

\log ((), F_{0} goodbreak- F) / F goodbreak= \log italicKa goodbreak+ n \log ([], Q)

…”

Section: Resultsmentioning

confidence: 99%

Interaction between laccase and diethylstilbestrol based on multispectral and chromatography analyses

Lin

Liu

Lin

et al. 2022

J of Molecular Recognition

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Diethylstilbestrol (DES) is a synthetic form of oestrogen that does not easily degrade in the environment and can be harmful to human health. Herein, the mechanism of the interaction between laccase and DES was investigated by various spectroscopic means and high-performance liquid chromatography (HPLC). The results of fluorescence experiments showed that the quenching of intrinsic fluorescence of laccase by DES was due to a static quenching, forming a binding site. According to the Förster non-radiative energy transfer theory (FRET), the action distance R 0 between DES and laccase was 4.708 nm, r was 5.81 nm, and the energy transfer efficiency E was 22.08%, respectively. Both UV-Vis absorption spectra and FT-IR spectra indicated changes in the conformation and surroundings of the enzyme and changed in the secondary structure of laccase. Multispectral synthesis showed that the interaction of laccase with DES caused a change in the secondary structure of laccase. The degradation experiments showed that laccase could degrade DES, and the DES content decreased with time. This study provides a new theoretical basis and experimental method for further research on the reaction mechanism of the laccase degradation of DES. It may also provide a reference basis for human biological and environmental safety evaluations.

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F_{0} / F goodbreak= 1 goodbreak+ K_{SV} ([], Q) goodbreak= 1 goodbreak+ k_{q} τ_{0} ([], Q)

\log ((), F_{0} goodbreak- F) / F goodbreak= \log italicKa goodbreak+ n \log ([], Q)

…”

Section: Resultsmentioning

confidence: 99%

Interaction between laccase and diethylstilbestrol based on multispectral and chromatography analyses

Lin

Liu

Lin

et al. 2022

J of Molecular Recognition

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“…Docking scores suggested that sulfated PBDEs have stronger affinity for TTR than the corresponding OH‐PBDEs. Free energy calculations indicated that van der Waals forces dominate the binding and residues Ser117 and Lys15 have important roles in determining the binding orientations of the ‐OSO 3 ‐ group of sulfated PBDEs. – Molecular docking suggested that 2’‐MeO‐BDE‐3, 5‐MeO‐BDE‐47 and 3‐MeO‐BDE‐100 bind to the thyroid hormone binding site of TBG (Huang et al., 2021b). Analysis with spectroscopic techniques together with free energy calculations indicated that the MeO‐PBDE combined with TBG primarily by hydrogen bonding and hydrophobic interactions and that van der Waals force is important.…”

Section: Assessmentmentioning

confidence: 99%

“…Molecular docking suggested that 2’‐MeO‐BDE‐3, 5‐MeO‐BDE‐47 and 3‐MeO‐BDE‐100 bind to the thyroid hormone binding site of TBG (Huang et al., 2021b ). Analysis with spectroscopic techniques together with free energy calculations indicated that the MeO‐PBDE combined with TBG primarily by hydrogen bonding and hydrophobic interactions and that van der Waals force is important.…”

Section: Assessmentmentioning

confidence: 99%

Update of the risk assessment of polybrominated diphenyl ethers (PBDEs) in food

Schrenk,

Bignami,

Bodin

et al. 2024

EFS2

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The European Commission asked EFSA to update its 2011 risk assessment on polybrominated diphenyl ethers (PBDEs) in food, focusing on 10 congeners: BDE‐28, ‐47, ‐49, ‐99, ‐100, ‐138, ‐153, ‐154, ‐183 and ‑209. The CONTAM Panel concluded that the neurodevelopmental effects on behaviour and reproductive/developmental effects are the critical effects in rodent studies. For four congeners (BDE‐47, ‐99, ‐153, ‐209) the Panel derived Reference Points, i.e. benchmark doses and corresponding lower 95% confidence limits (BMDLs), for endpoint‐specific benchmark responses. Since repeated exposure to PBDEs results in accumulation of these chemicals in the body, the Panel estimated the body burden at the BMDL in rodents, and the chronic intake that would lead to the same body burden in humans. For the remaining six congeners no studies were available to identify Reference Points. The Panel concluded that there is scientific basis for inclusion of all 10 congeners in a common assessment group and performed a combined risk assessment. The Panel concluded that the combined margin of exposure (MOET) approach was the most appropriate risk metric and applied a tiered approach to the risk characterisation. Over 84,000 analytical results for the 10 congeners in food were used to estimate the exposure across dietary surveys and age groups of the European population. The most important contributors to the chronic dietary Lower Bound exposure to PBDEs were meat and meat products and fish and seafood. Taking into account the uncertainties affecting the assessment, the Panel concluded that it is likely that current dietary exposure to PBDEs in the European population raises a health concern.

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Exploring the toxic effects and mechanism of methoxylated polybrominated diphenyl ethers (MeO‐PBDEs) on thyroxine‐binding globulin (TBG): Synergy between spectroscopic and computations

Cited by 2 publications

References 52 publications

Interaction between laccase and diethylstilbestrol based on multispectral and chromatography analyses

Interaction between laccase and diethylstilbestrol based on multispectral and chromatography analyses

Update of the risk assessment of polybrominated diphenyl ethers (PBDEs) in food

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