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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY · 2024 · IF 4.3

Probing the interaction mechanism of SDBS with AtPrxQ from Arabidopsis thaliana: Insight into the molecular toxicity to plants

Zhong Wang,Wanting Li,Xiaomin Hou

As the most universally used anionic surfactant, ubiquitous existence and accumulation of sodium dodecyl benzene sulfonate (SDBS) in the environment has inevitably imposed the associated harmful impacts to plants due to producing excessive reactive oxygen species. However, the underlying hazardous mechanism of the SDBS-induced oxidative stress to plants at molecular level has never been reported. Here, the molecular interaction of AtPrxQ with SDBS was explored for the first time. The intrinsic fluorescence of AtPrxQ was quenched based on static quenching, and a single binding site of AtPrxQ towards SDBS and the potential interaction forces driven by hydrophobic interactions were predicted from thermodynamic parameters and molecular docking results. Besides, the interaction pattern of AtPrxQ and SDBS was also confirmed by the bio-layer interferometry with moderate binding affinity. Moreover, the structural changes of AtPrxQ along with the destructions of the protein framework and the hydrophobic enhancement around aromatic amino acids were observed upon binding with SDBS. At last, the toxic effects produced by SDBS on peroxidase activities and Arabidopsis seedlings growth were also characterized. Thus this work may provide insights on the molecular interactions of AtPrxQ with SDBS and assessments on the biological hazards of SDBS to plants even for the agriculture.

CAS / MDL: 25155-30-0
研究领域: 植物学 · 环境毒理学 · 分子生物学
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Toxics · 2023 ·Vol. 11 ·期 5 ·414 · IF 4.6

Molecular Toxicity Mechanism Induced by the Antibacterial Agent Triclosan in Freshwater Euglena gracilis Based on the Transcriptome

Ting Lu,Tong Zhang,Weishu Yang,Bin Yang,Jing Cao,Yang Yang,Mei Li

Triclosan (TCS), a commonly used antibacterial preservative, has been demonstrated to have high toxicological potential and adversely affects the water bodies. Since algae are one of the most significant primary producers on the planet, understanding the toxicological processes of TCS is critical for determining its risk in aquatic ecosystems and managing the water environment. The physiological and transcriptome changes inEuglena graciliswere studied in this study after 7 days of TCS treatment. A distinct inhibition ratio for the photosynthetic pigment content inE. graciliswas observed from 2.64% to 37.42% at 0.3–1.2 mg/L, with TCS inhibiting photosynthesis and growth of the algae by up to 38.62%. Superoxide dismutase and glutathione reductase significantly changed after exposure to TCS, compared to the control, indicating that the cellular antioxidant defense responses were induced. Based on transcriptomics, the differentially expressed genes were mainly enriched in biological processes involved in metabolism pathways and microbial metabolism in diverse environments. Integrating transcriptomics and biochemical indicators found that changed reactive oxygen species and antioxidant enzyme activities stimulating algal cell damage and the inhibition of metabolic pathways controlled by the down-regulation of differentially expressed genes were the main toxic mechanisms of TCS exposure toE. gracilis. These findings establish the groundwork for future research into the molecular toxicity to microalgae induced by aquatic pollutants, as well as provide fundamental data and recommendations for TCS ecological risk assessment.Keywords:triclosan;Euglena gracilis;oxidative stress;photosynthetic pigment;molecular toxicity

研究领域: 环境科学 · 毒理学 · 分子生物学
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JOURNAL OF MOLECULAR LIQUIDS · 2023 · IF 6

Molecular toxicity of Cr(III) and Cr(VI) to defensive protein lysozyme and their differential mechanisms

Guang Tian,Xiangxiang Li,Falin He,Shuqi Guo,Yaoyue Wang,Yuze Li,Wansong Zong,Rutao Liu

Chromium (Cr) poses potential threats on human and ecological health through both food and environmental pathways. However, the response mechanisms of Cr to function-related proteins in human subjects and the differential effects in the case of different valence states of Cr are still lacking. Herein, the binding interactions and mechanisms of lysozyme to Cr(III) and Cr(VI) were investigated by isothermal titration microcalorimetry, multi-spectroscopy, enzyme activity assay, and molecular simulations. Our results indicated that the binding of Cr in different valence states with lysozyme was a relatively affinity process and mainly driven by hydrophobic forces. Both Cr species induced the looseness of backbone for lysozyme and the enhancement of hydrophilicity around the backbone microenvironment. Otherwise, the α-helix of lysozyme was decreased with different valence states of Cr, while Cr(III) showed a greater degree of influence and a stronger regularity. Interestingly, no significant changes in the microenvironment around aromatic amino acid residues were observed under the exposure of different valence states of Cr. Differential structural changes of lysozyme resulted in activity alterations. At 80 mg·L −1 of Cr, Cr (VI) reduced the lysozyme activity to 81.44% of the control, while the lysozyme activity was significantly reduced to 24.45% under the exposure of Cr (III). Further molecular docking showed that amino acids near the binding sites of different valence states of Cr with lysozyme were not identical, but the enzyme active site, Asp52, was all within the binding pocket. This study elucidates the differential toxicity effects and interaction mechanisms of Cr in different valence states, and offers a comprehensive strategy for exploring the in vitro responses of toxicants exposure.

CAS / MDL: 10060-12-5
研究领域: 环境科学 · 毒理学 · 生物化学 · 分子生物学
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ENVIRONMENTAL POLLUTION · 2020 · IF 6.793

Risk assessment of cardiotoxicity to zebrafish (Danio rerio) by environmental exposure to triclosan and its derivatives

Danting Wang,Yuhuan Zhang,Jieyi Li,Randy A. Dahlgren,Xuedong Wang,Haishan Huang,Huili Wang

Triclosan (TCS) and its two derivatives (2,4-dichlorophenol and 2,4,6-trichlorophenol) are priority pollutants that coexist in aquatic environments. Joint exposure of TCS, 2,4-dichlorophenol and 2,4,6-trichlorophenol, hereafter referred to as TCS-DT, contributes severe toxicity to aquatic organisms. There is currently a paucity of data regarding TCS-DT molecular toxicity, especially on cardiac diseases. We used zebrafish ( Danio rerio ) as a model organism, and evaluated the molecular-level cardiotoxicity induced by TCS-DT from embryonic to adult stages. TCS-DT exposure prominently led to phenotypic malformations, such as pericardial cysts, cardiac bleeding, increased SV-BA distance, decreased heart rate and reduced ejection fraction, as well as abnormal swimming behavior. Analyses of the GO and KEGG pathways revealed enrichment pathways related to cardiac development and screened for significantly down-regulated adrenaline signaling in cardiomyocytes. The cardiac marker genes ( amhc , cmlc2 , vmhc , and nkx2.5 ) were obtained through protein-protein interaction (PPI) networks, and expressed as down-regulation by WISH. After chronic exposure to TCS-DT from 30 to 90-dpf, both body mass and heart indexes prominently increased, showing myocardial hypertrophy, abnormal heart rate and histopathological injury. Heart tissue damage included disordered and ruptured myocardial fibers, broken and dissolved myofilaments, nuclear pyknosis, mitochondrial injury and inflammatory cell infiltration . Further, abnormal changes in a series of cardiac functions-related biomarkers, including superoxide dismutase, triglyceride, lactate dehydrogenase and creatinine kinase MB, provided evidence for cardiac pathological responses. These results highlight the molecular mechanisms involving TCS-DT induced cardiac toxicity, and provide theoretical data to guide prevention and treatment of pollutant-induced cardiac diseases.

CAS / MDL: 103-85-5
研究领域: 环境毒理学 · 水生生物学 · 分子生物学 · 心脏病学
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