Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma

Babu, Sainath; Vellore, Nadeem A.; Kasibotla, Agasthya V.; Dwayne, Harlan J.; Stubblefield, Michael A.; Uppu, Rao M.

doi:10.1016/j.bbrc.2012.08.065

Cited by 34 publications

(27 citation statements)

References 28 publications

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“…For instance, cancer (all sites) and neurodegenerative disorders, such as Alzheimer's disease, have their peaks of incidence rate at different ages (before and after the age 85, respectively), which means that these disorders may have their biggest impact on the mortality risk at different ages too. If so, genetic variants with a trade-off-like influence on these disorders could be associated with reduced total mortality risk in middle life, due to cancer, and with increased mortality at the oldest-old ages, due to neurodegenerative disorders (see additional examples of these genetic trade-offs in [ 7 , 36 , 37 ]. Although it is beyond the scope of this study to investigate the effect of differential fertility of different genotypes over time [ 34 ], it is interesting to note that ERR (the homologous of human ESRRG in Drosophila), is required to maintain male fertility [ 35 ], thus suggesting its potential role in the trade-off reproduction/survival.…”

Section: Resultsmentioning

confidence: 99%

“…Some studies showed how some environmental molecules from modern human niche ( e.g. bisphenol A, nitrated and chlorinated metabolites) strongly bind to Esrrg receptor [ 36 ]. According to this view, future studies are needed to accurately explore the potential trade-off between reproduction and survival (in the light of energy allocation theory) and its role in shaping life history trajectories in modern environments.…”

Section: Resultsmentioning

confidence: 99%

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Impact of demography and population dynamics on the genetic architecture of human longevity

Giuliani

Sazzini

Pirazzini

et al. 2018

Aging

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The study of the genetics of longevity has been mainly addressed by GWASs that considered subjects from different populations to reach higher statistical power. The "price to pay" is that population-specific evolutionary histories and trade-offs were neglected in the investigation of gene-environment interactions. We propose a new “diachronic” approach that considers processes occurred at both evolutionary and lifespan timescales. We focused on a well-characterized population in terms of evolutionary history (i.e. Italians) and we generated genome-wide data for 333 centenarians from the peninsula and 773 geographically-matched healthy individuals. Obtained results showed that: (i) centenarian genomes are enriched for an ancestral component likely shaped by pre-Neolithic migrations; (ii) centenarians born in Northern Italy unexpectedly clustered with controls from Central/Southern Italy suggesting that Neolithic and Bronze Age gene flow did not favor longevity in this population; (iii) local past adaptive events in response to pathogens and targeting arachidonic acid metabolism became favorable for longevity; (iv) lifelong changes in the frequency of several alleles revealed pleiotropy and trade-off mechanisms crucial for longevity. Therefore, we propose that demographic history and ancient/recent population dynamics need to be properly considered to identify genes involved in longevity, which can differ in different temporal/spatial settings.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Impact of demography and population dynamics on the genetic architecture of human longevity

Giuliani

Sazzini

Pirazzini

et al. 2018

Aging

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“…In addition, as a xenoestrogen, BPA interacts with estrogen receptors (2) by yet unknown mechanisms. Interestingly, it was recently proposed that peroxynitrite‐modified forms of BPA have stronger binding affinity for estrogen receptors than estradiol (45). Therefore, we cannot exclude the possibility that the effects of BPA could also be a consequence of peroxynitrite‐induce modification of BPA, increasing its affinity for estrogen receptors.…”

Section: Discussionmentioning

confidence: 99%

Oral administration of bisphenol A induces high blood pressure through angiotensin II/CaMKII‐dependent uncoupling of eNOS

et al. 2014

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Bisphenol A (BPA) is found in human urine and fat tissue. Higher urinary BPA concentrations are associated with arterial hypertension. To shed light on the underlying mechanism, we orally administered BPA (4 nM to 400 μM in drinking water) to 8-wk-old CD11 mice over 30 d. Mice developed dosage-dependent high blood pressure (systolic 130 ± 12 vs. 170 ± 12 mmHg; EC50 0.4 μM), impairment of acetylcholine (AcH)-induced carotid relaxation (0.66 ± 0.08 vs. 0.44 ± 0.1 mm), a 1.7-fold increase in arterial angiotensin II (AngII), an 8.7-fold increase in eNOS mRNA and protein, and significant eNOS-dependent superoxide and peroxynitrite accumulation. AngII inhibition with 0.5 mg/ml losartan reduced oxidative stress and normalized blood pressure and endothelium-dependent relaxation, which suggests that AngII uncouples eNOS and contributes to the BPA-induced endothelial dysfunction by promoting oxidative and nitrosative stress. Microarray analysis of mouse aortic endothelial cells revealed a 2.5-fold increase in expression of calcium/calmodulin-dependent protein kinase II-α (CaMKII-α) in response to 10 nM BPA, with increased expression of phosphorylated-CaMKII-α in carotid rings of BPA-exposed mice, whereas CaMKII-α inhibition with 100 nM autocamptide-2-related inhibitor peptide (AIP) reduced BPA-mediated increase of superoxide. Administration of CaMKII-α inhibitor KN 93 reduced BPA-induced blood pressure and carotid blood velocity in mice, and reverted BPA-mediated carotid constriction in response to treatment with AcH. Given that CaMKII-α inhibition prevents BPA-mediated high blood pressure, our data suggest that BPA regulates blood pressure by inducing AngII/CaMKII-α uncoupling of eNOS.

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“…For example, compared to BPA, Cl1BPA and 3,3＇-Cl2BPA have 1.4-and 9.0-fold higher affinity to estrogen receptor α binding assay [4][5][6] . According to the scientific literature [4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19] , BPA congeners have adverse effects on soil and sludge quality 7,8) , and are toxic to rats 5,9) and humans [10][11][12][13][14][15] because of their high environmental persistence 16,17) and endocrine disrupting properties 4, 5, 7, 10-12, 15, 17, 18) . In Japan, BPA is and Br4-BPA have been detected in human serum by gas chromatography/mass spectrometry (GC/MS) 14) .…”

Section: Introductionmentioning

confidence: 99%

Quantitative and Qualitative Analysis of Organic Halogenated Compounds Unintentionally Generated in Wastewater Treatment Plants using Liquid Chromatography/Mass Spectrometry and High-Resolution Mass Spectrometry

et al. 2017

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Summar yA liquid chromatography/tandem mass spectrometr y (LC/MS/MS) method was developed for simultaneously measuring bisphenol A (BPA), chlorinated BPAs (Cl x BPAs), and brominated BPAs (Br y BPAs) unintentionally generated in wastewater treatment plants (WWTPs). The main purpose of this study was to develop a non-derivatizing measurement method based on LC/MS/MS to analyze BPA, mono-, di-, tri-, and tetra-substituted BPAs by the chlorine or bromine groups in the aromatic rings (11 chemicals in total) via full separation and selective quantitation. In this method, the limit of detection for the chemicals was found to be within 0.01-0.16 µg/L, with recoveries of 50.6-77.9 % and relative standard deviation of 4.3-16 %. We also investigated halogenated BPAs generated by sterilizing the water treated by the WWTP with sodium hypochlorite. BPA and Br4-BPA, which are usually contained in industrial products, are the more abundant BPA congeners before the sterilization process. In one plant that receives a large amount of industrial wastewater, the concentrations of almost all halogenated BPAs decreased after the sterilization process. The concentration of Br4-BPA significantly decreased after the sterilization, while that of Cl4-BPA tended to increase. This suggested that Cl4-BPA was generated from BPA as well as halogenated BPAs (particularly Br4-BPA) during sterilization. Finally, non-targeted analysis using accurate mass measurement with LC/Q-ToFMS also discovered three other chemicals unintentionally generated in the effluents from the sterilization process, such as chlorophenol as a precursor of chlorinated dioxin, which is related to BPA congeners. Chemicals with the elemental compositions of pharmaceuticals were also found.

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Molecular docking of bisphenol A and its nitrated and chlorinated metabolites onto human estrogen-related receptor-gamma

Cited by 34 publications

References 28 publications

Impact of demography and population dynamics on the genetic architecture of human longevity

Impact of demography and population dynamics on the genetic architecture of human longevity

Oral administration of bisphenol A induces high blood pressure through angiotensin II/CaMKII‐dependent uncoupling of eNOS

Quantitative and Qualitative Analysis of Organic Halogenated Compounds Unintentionally Generated in Wastewater Treatment Plants using Liquid Chromatography/Mass Spectrometry and High-Resolution Mass Spectrometry

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