TOXICOLOGY LETTERS
·
2017
·
IF 3.858
Jie Zhang,Tiezhu Li,Tuoyi Wang,Tianzhu Guan,Hansong Yu,Zhuolin Li,Yongzhi Wang,Yongjun Wang,Tiehua Zhang
The binding of bisphenol A (BPA) and its halogenated derivatives (halogenated BPAs) to mouse peroxisome proliferator-activated receptor α ligand binding domain (mPPARα-LBD) was examined by a combination of in vitro investigation and in silico simulation. Fluorescence polarization (FP) assay showed that halogenated BPAs could bind to mPPARα-LBD* as the affinity ligands. The calculated electrostatic potential (ESP) illustrated the different charge distributions of halogenated BPAs with altered halogenation patterns. As electron-attracting substituents, halogens decrease the positive electrostatic potential and thereby have a significant influence on the electrostatic interactions of halogenated BPAs with mPPARα-LBD*. The docking results elucidated that hydrophobic and hydrogen-bonding interactions may also contribute to stabilize the binding of the halogenated BPAs to their receptor molecule. Comparison of the calculated binding energies with the experimentally determined affinities yielded a good correlation (R 2 = 0.6659) that could provide a rational basis for designing environmentally benign chemicals with reduced toxicities. This work can potentially be used for preliminary screening of halogenated BPAs.
研究领域:
环境科学
·
毒理学
·
生物化学
✓ 已验证
DOI
PubMed
高影响因子
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
·
2024
·
IF 4.9
Yaxin Wang,Zhen Xu,Shuangshuang Zhao,Yongjun Zhang,Wei Li,Jiahong Wen,Renxian Gao,Bohong Zheng,Lijun Liang,Xiaoyu Zhao
The Ag nanonail rooted in Au cross-channel nanocavity is fabricated by plasmon-mediated chemical reactions (PMCRs). The Au cross-channel nanocavity is prepared based on two-dimensional polystyrene (PS) nanosphere template through wet etching, and the shape of Au cross-channel nanocavity changes from trapezoidal to triangular, depending on the wet etching time. The growth of Ag nanostructures in Au channels by PMCRs indicates the morphology of Ag nanostructures has changed from Ag nanoparticles to nanonails, which is regulated by the shape of Au nanocavities and the exciting light polarization. The hotspots distributions results in the anisotropic growth of Ag nanostructures induced by PMCRs, which leading to the different Ag nanostructures depending on the shape of Au nanocavity and light polarization, as confirmed by FDTD simulations. In comparison with others reports, our nanocavity provide more parameters to control the shapes of Ag nanostructures, the nanocavity shape, the light polarization and the growth time. Our work provides a profound insight into the construction of periodic nanostructures and reconstruction of hotspots.
研究领域:
纳米技术
·
光学
·
材料科学
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产品关联
DOI
高影响因子
VIROLOGY
·
2022
·
IF 3.513
Haohao Yan,Zhicheng Liu,Gangan Yan,Xiaoli Liu,Xiaoping Liu,Yanchang Wang,Yunyu Chen
The global scourge of COVID-19 is a serious threat to public health, but effective therapies remain very limited for this disease. Therefore, the discovery of novel antiviral agents is urgently needed to fight against COVID-19. In the lifecycle of SARS-CoV-2, the causing pathogen of COVID-19, papain-like protease (PLpro) is responsible for the cleavage of polyprotein into functional units as well as immune evasion of vaccines. Hence, PLpro has been regarded as an attractive target to develop antiviral agents. Herein, we first developed a robust and simple sandwich-like fluorescence polarization (FP) screening assay for the discovery of PLpro inhibitors, and identified anacardic acid as a novel competitive inhibitor against PLpro in vitro with an IC 50 value of 24.26 ± 0.4 μM. This reliable FP screening assay could provide a prospective avenue for rapid discovery of antiviral agents targeting PLpro in a large-scale screening.
研究领域:
病毒学
·
药理学
·
分子生物学
✓ 已验证
DOI
PubMed
高影响因子
Food Analytical Methods
·
2016
·Vol. 10
·期 5
·1293-1300
·
IF 2.167
Zhang Jie,Li Tiezhu,Zhang Tiehua,Xue Peiyu,Guan Tianzhu,Yuan Yuan,Yu Hansong
This work developed a fluorescence polarization (FP) assay for detection of phthalate esters (PAEs) in Chinese spirits. A mouse-derived recombinant peroxisome proliferator-activated receptor α ligand binding domain (mPPARα-LBD*) and a fluorescent-labeled fatty acid (C4-BODIPY-C9) were employed as recognition element and fluorescent tracer, respectively, providing the limits of detection (LODs) below 11.2 μM for the 10 PAEs tested in buffer. Chinese spirits spiked with DEHP and DBP could be positively detected in combination with simple pretreatment, with recoveries ranging from 76.9 to 87.0 % and with coefficients of variation below 10 %. Additionally, the mechanisms of mPPARα-LBD* binding to PAEs were investigated by using molecular simulation approach. The results suggested that the proposed method was reliable for monitoring PAEs in Chinese spirits.
研究领域:
分析化学
·
环境科学
·
分子生物学
✓ 已验证
产品关联
DOI
高影响因子
EUROPEAN JOURNAL OF LIPID SCIENCE AND TECHNOLOGY
·
2017
·Vol. 119
·期 9
·1700042
·
IF 2.145
Tianzhu Guan,Yonghai Sun,Hansong Yu,Tiezhu Li,Jie Zhang,Tiehua Zhang
A fluorescence polarization (FP) assay based on receptor was developed for the determination of bisphenol analogs (BPs) in soybean oil. In the competitive binding system, dexamethasone fluorescein (Dex-fl) and glucocorticoid receptor (GR) were selected as probe and recognition element, respectively. Crucial factors that affect the precision and accuracy were optimized. After development, the method was characterized by IC 50 values ranging from 1.8 to 66.9 µM of 11 BPs. The established method revealed a limit of detection (LOD) of 1.0 µM and a working range of 7.6–30 µM for BPA in soybean oil. Analysis of spiked soybean oil samples showed that acceptable recoveries ranged from 71.99 to 82.95% with coefficients of variation (CVs) less than 10%. Furthermore, the results detected by the FP assay showed good agreement with that of HPLC with a fit of R 2 = 0.9171. It is concluded that this method offers a reliable alternative for determination of BPs in soybean oil. Practical applications: This work aims to develop FP assay for determination of BPs in soybean oil. Based on the recombinant GR, this method can detect multiple BPs simultaneously. It can potentially be used for high-throughput screening of BPs, which may serve as an assistant of chromatographic techniques.
研究领域:
分析化学
·
环境科学
·
食品科学
✓ 已验证
DOI
高影响因子
Analytical Methods
·
2015
·Vol. 8
·期 4
·880-885
·
IF 1.821
Jie Zhang,XiaoJia Xing,Yonghai Sun,Zhuolin Li,Peiyu Xue,Tuoyi Wang,Tiezhu Li
The binding of phthalate esters (PAEs) to peroxisome proliferator-activated receptor α (PPARα) has been investigated by using fluorescence polarization (FP) in combination with molecular modeling techniques. The FP competitive binding assay is based on a mouse-derived recombinant PPARα ligand binding domain (LBD) and a fluorescent-labeled fatty acid (C4-BODIPY-C9). A soluble mPPARα-LBD protein derivative, named mPPARα-LBD*, was expressed and purified. By using C4-BODIPY-C9 as a probe, 10 common PAEs with different carbon chain lengths and functional groups were assessed for their binding affinities with mPPARα-LBD*, respectively. PAEs displace the probe from the C4-BODIPY-C9–mPPARα-LBD* complex, resulting in lower polarization values. FP assay showed that PAEs compete for the C4-BODIPY-C9 binding sites in a concentration-dependent manner, and the potency of the tested PAEs increases with increasing side chain length. Molecular docking suggested that the length and hydrophobicity of the side chain of PAEs have contributed a lot to the ligand–receptor binding, and there are four prominent interactions observed to stabilize the PAEs–mPPARα-LBD* binding. In addition, comparison of docking scores vs. experimental binding affinities yielded a good correlation (R2 = 0.948). The most active DEHP (Kd = 19.6 ± 1.7 μM) has the lowest ranking on docking scores. The fluorescence polarization-based competitive binding assay can potentially be used for high-throughput screening of PAEs, which may serve as an assistant of chromatographic techniques.
研究领域:
分子生物学
·
毒理学
·
环境科学
·
药物研发
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）