CHEMOSPHERE
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2021
·
IF 7.086
Wenxiang Zhang,Zheyi Liu,Ye Zhou,Can Lai,Binwen Sun,Min He,Ziyang Zhai,Jian Wang,Qi Wang,Xian Wang,Fangjun Wang,Yuanjiang Pan
Perfluorooctanoic acid (PFOA) is a persistent environmental pollutant and will continually accumulate in blood due to its chemical inertness and strong interaction with serum proteins, especially serum albumin (SA), inducing highly adverse health risks. However, the molecular mechanisms of dynamic interactions between PFOA with serum proteins remain unclear, limiting the development of potential therapeutic strategies. Herein, we developed an integrated structural strategy to systematically profile the molecular details of dynamic interactions among PFOA, SA, and β-cyclodextrin (β-CD) by combing native mass spectrometry (nMS), lysine reactivity profiling (LRP), and molecular docking (MD) simulation. The SA site 1, site 2 pockets, and cleft nearby are observed as the primary interaction regions of PFOA. Further, β-CD can disrupt the PFOA combinations with bovine SA regions around sites Lys20, Lys280, Lys350, and Lys431–Lys439, with an overall reversing efficiency of about 26% at an identical concentration to PFOA. The interactome of PFOA with complex human serum proteins is globally profiled with molecular interaction details, including human serum albumin, apolipoprotein A-I, alpha-2-macroglobulin, and complement C3. Our results reveal molecular insights into the detail of the interaction between PFOA and serum proteins, beneficial to understanding PFOA toxicology.
研究领域:
环境科学
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毒理学
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结构生物学
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DOI
PubMed
高影响因子
Journal of Pharmaceutical Analysis
·
2013
·
IF 0
Zheng-Jun Cheng,Hong-Mei Zhao,Qian-Yong Xu,Rong Liu
The binding characteristics of indigotin with human serum albumin (HSA) and bovine serum albumin (BSA) have been investigated by various spectroscopic techniques. Spectroscopic analysis revealed that the quenching mechanism between indigotin and HSA/BSA belonged to the static quenching. The displacement experiments suggested that indigotin primarily bound to tryptophan residues on proteins within site I. The thermodynamic parameters indicated that the binding of indigotin–HSA/BSA mainly depended on the hydrophobic interaction. The binding distance of indigotin to HSA/BSA was evaluated. The results by synchronous fluorescence, three-dimensional fluorescence, Fourier Transform Infrared spectroscopy (FT-IR) and circular dichroism (CD) spectra showed that the conformation of proteins altered in the presence of indigotin.
研究领域:
生物化学
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药物化学
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分子生物学
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DOI
PubMed
LUMINESCENCE
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2021
·Vol. 36
·期 4
·977-985
·
IF 2.464
Xu Li,Yue Yuan,Rui Zhao,Di Shao,Shuyun Bi
To assess the toxicity of residual marbofloxacin from animal-derived food, the interaction characteristics of marbofloxacin to bovine/human serum albumins (BSA/HSA) were explored using spectroscopic methods combined with molecular modelling. According to fluorescence spectra and time-resolved fluorescence spectra measurements, quenching of BSA/HSA fluorescence induced by marbofloxacin was characterized as static quenching. A 1:1 ground-state complex of marbofloxacin to BSA/HSA was formed with binding constant ( K a ) 1.66 × 10 4 /9.74 × 10 3 M −1 at 291 K. The location of marbofloxacin binding at site I within BSA/HSA was clarified by site marker competitive experiments. Molecular modelling demonstrated that the binding region for marbofloxacin to BSA and HSA were at site I with the lowest binding free energies of −22.86 and −21.60 kJ mol −1 , respectively. Hydrogen bonds and van der Waals forces were dominantly involved in the spontaneous binding. Nonradiation energy transferred from BSA and HSA to marbofloxacin, due to the close distance ( r 0 ) between marbofloxacin and Trp residues of BSA (4.28 nm) and HSA (3.34 nm). As explained by circular dichroism (CD) spectra, an increased BSA/HSA α- helix structure was observed after binding to marbofloxacin. Ultraviolet–visible (UV–vis) and Fourier transform infrared (FT-IR) spectra suggested that conformation of the two proteins was altered by marbofloxacin.
研究领域:
药理学
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生物化学
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食品安全
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DOI
PubMed
高影响因子
MOLECULAR BIOLOGY REPORTS
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2012
·Vol. 39
·期 10
·9493-9508
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IF 2.929
Cheng Zhengjun
This study was designed to examine the interactions of ergosterol with bovine serum albumin (BSA) and human serum albumin (HSA) under physiological conditions with the drug concentrations in the range of 2.99–105.88 μM and the concentration of proteins was fixed at 5.0 μM. The analysis of emission spectra quenching at different temperatures revealed that the quenching mechanism of HSA/BSA by ergosterol was the static quenching. The number of binding sites n and the binding constants K were obtained at various temperatures. The distance r between ergosterol and HSA/BSA was evaluated according to Föster non-radioactive energy transfer theory. The results of synchronous fluorescence, 3D fluorescence, FT-IR, CD and UV–Vis absorption spectra showed that the conformations of HSA/BSA altered in the presence of ergosterol. The thermodynamic parameters, free energy change (Δ G ), enthalpy change (Δ H ) and entropy change (Δ S ) for BSA–ergosterol and HSA–ergosterol systems were calculated by the van’t Hoff equation and discussed. Besides, with the aid of three site markers (for example, phenylbutazone, ibuprofen and digitoxin), we have reported that ergosterol primarily binds to the tryptophan residues of BSA/HSA within site I (subdomain II A).
研究领域:
生物化学
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药物化学
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产品关联
DOI
PubMed
高影响因子
CHEMICO-BIOLOGICAL INTERACTIONS
·
2025
·
IF 5.4
Panpan Chen,Xueqing Ding,Junqing Tu,Yi Wang
Sulcotrione and mesotrione are novel plant 4-hydroxyphenylpyruvate dioxygenase (HPPD) inhibitors. The overuse of these herbicides can bring the risk to environment and human. In this study, multispectral methods, density functional theory (DFT) calculations, and molecular docking techniques were used to investigate how sulcotrione and mesotrione interact with human serum albumin (HSA) and bovine serum albumin (BSA). The results revealed that both herbicides quenched the endogenous fluorescence of HSA/BSA through a static quenching mechanism. Circular dichroism (CD), Fourier Transform Infrared (FTIR), synchronous fluorescence, and three-dimensional (3D) fluorescence spectra demonstrated that sulcotrione and mesotrione induced conformational and secondary structural changes in HSA and BSA. Thermodynamic studies indicated that hydrogen bonding and van der Waals forces were the primary driving forces behind these interactions. Additionally, both compounds enhanced the esterase activity and antioxidant capacity of HSA and BSA while altering amino acid residues. The in vivo toxicity test and ROS levels results of zebrafish also showed that the toxicity of mesotrione was higher than that of sulcotrione. This study provides critical insights into the potential health risks posed by HPPD inhibitors to humans and mammals, emphasizing the need for further safety evaluations.
研究领域:
生物化学
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药物代谢
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分子生物学
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环境毒理学
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结构生物学
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产品关联
DOI
PubMed
高影响因子
ANALYTICAL SCIENCES
·
2021
·Vol. 37
·期 2
·315-320
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IF 2.081
Siqingaowa HAN,Chen ZHANG,Zhijie CHEN,Xuanyu SHA,Wuliji HASI
This paper describes a method based on surface enhanced Raman spectroscopy (SERS) technology for rapid detection of dezocine in urine and serum. Firstly, an Ag colloid substrate was prepared and characterized. Then the Raman characteristic peaks of dezocine were assigned from both theoretical and experimental aspects. Finally, the Raman peak at 661 cm−1 was selected as its characteristic peak to perform SERS detection on dezocine in urine and serum, and the detection limits of dezocine in urine and serum were determined. The relationships between the characteristic peak intensity and the concentration of dezocine in urine and serum were fitted and the recovery rates were calculated. This rapid, accurate and non-destructive method establishes a good foundation for rapid on-site detection of dezocine in biological samples.
研究领域:
分析化学
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生物医学工程
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药物分析
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DOI
PubMed
高影响因子
Journal of Advanced Research
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2020
·
IF 6.992
Yanwu Chu,Zhanjie Zhang,Qianyuan He,Feng Chen,Ziqian Sheng,Deng Zhang,Honglin Jin,Fagang Jiang,Lianbo Guo
Inorganic or inorganic-organic hybrid nanomaterials have great potential for applications in the biomedical fields. Biological half-life is an essential pharmacokinetic parameter for these materials to function in vivo . Compared to inductively coupled plasma mass spectrometry (ICP-MS), which is the gold standard, laser-induced breakdown spectroscopy (LIBS) is a faster and more efficient elemental detection method. We investigated an efficient way to quantify the metabolic rate using LIBS. Nanoparticle platforms, such as manganese dioxide-bovine serum albumin (MnO 2 -BSA) or boehmite-bovine serum albumin (AlO(OH)-BSA) were injected into mice through intravenous administration for LIBS spectrum acquisition. First, the spectral background was corrected using the polynomial fitting method; The spectral interference was eliminated by Lorentz fitting for each LIBS spectrum simultaneously. The support vector regression (SVR) was then used for LIBS quantitative analyses. Finally, the LIBS results were compared with the ICP-MS ones. The half-lives of MnO 2 -BSA calculated by LIBS and ICP-MS were 2.49 and 2.42 h, respectively. For AlO(OH)-BSA, the half-lives detected by LIBS and ICP-MS were 3.46 and 3.57 h, respectively. The relative error of LIBS is within 5% compared to ICP-MS. The results demonstrate that LIBS is a valuable tool for quantifying the metabolic rates with a high degree of accuracy.
研究领域:
生物医学工程
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分析化学
·
药代动力学
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DOI
高影响因子
MICROCHEMICAL JOURNAL
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2023
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IF 4.8
Xiaohang Yu,Yang Li,Shaoping Lv,Xianghua Zeng,Xiliang Luo,Peipei Wang
The development of electrochemical biosensor capable of detecting specific biomarkers in real complex biological samples remains a challenge significantly relevant to a range of disease diagnostic applications. Herein an antifouling electrochemical biosensor suitable for biomarker detection in human serum was constructed based on protein hydrogels. A typical protein bovine serum albumin (BSA) was crosslinked with glutaraldehyde to form a hydrogel, which was freeze-dried and re-swollen to exhibit excellent antifouling capability. The rheological testing revealed that the prepared BSA hydrogel possessed good elasticity with a critical strain value of about 600 %, which is important for the construction of stable hydrogel-based biosensors. Following the immobilization of CA125 antibodies onto the BSA hydrogel modified electrode, an electrochemical biosensor for the detection of CA125 was constructed, with a linear range of 0.1 ∼ 1000 U mL −1 and a limit of detection of 0.026 U mL −1 . Owing to the unique properties of the BSA hydrogel, the biosensor exhibited good stability and excellent antifouling performances, and it was able to detect CA125 in human serum with acceptable accuracy. The strategy of constructing low fouling biosensors based on hydrogels prepared from BSA with biocompatibility and widespread availability represented a very promising advance along the road to develop biosensing devices with robust operation in complex biological fluids.
研究领域:
生物化学
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生物医学工程
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分析化学
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诊断学
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产品关联
DOI
高影响因子
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY
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2018
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IF 3.165
Hua Qiao,Bo Li,Huichao Zhang,Dan Liu,Haipeng Diao,Gongqin Sun,Jun Xie
Liposomes are a common delivery vehicle for drugs or biologicals, but some common surfactants used as liposome components may cause denaturation and malfunction of serum proteins and cell surface proteins . In this study, we examined the effects of liposome lipid didodecyldimethylammonium bromide (DDAB), nonionic polyoxyethylene sorbitan monooleate 80 (Tween 80), and the equimolar mixture on the properties of serum proteins. Bovine serum albumin was selected as the main model protein, and the effects of the DDAB, Tween 80, and a 1:1 mixture on its spectroscopic behavior were investigated. The effects of surfactants on the five major serum proteins: human serum albumin , apolipoprotein A1, transferrin, fibrinogen and immunoglobulin G were also examined. Finally, the results were verified on human serum. The results indicated that weak interactions exist between human serum proteins and the equimolar mixture of DDAB–Tween 80, significantly different from the strong interactions of DDAB and Tween 80 with proteins. The salient features of cationic–nonionic surfactants enable their use in liposome composition , with improved drug delivery efficiency.
研究领域:
生物化学
·
药剂学
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DOI
PubMed
高影响因子
CHEMICO-BIOLOGICAL INTERACTIONS
·
2023
·
IF 5.1
Jing Wang,Bin Yang,Xinping Yu,Shuji Chen,Wenxin Li,Xu Hong
Understanding the formation of protein corona (PC) is of vital importance for exploring the toxicity of nanoparticles and promoting their safe applications. In this study, CdTe QDs doping with 0, 1%, 5% and 10% Zn were synthesized using one-pot hydrothermal methods . Afterwards, this study explored and compared the formation of pure and Zn doped-QDs PC as well as the subsequent molecular and cellular toxicity. Result found that Zn doping regulated the toxicity of Cd-QDs by controlling their ability to adsorb serum proteins . The adsorption to Cd-QDs induced the dispersion, unfolding, secondary structural changes and the activity loss of bovine serum albumin (BSA). Among the synthesized Cd-QDs, 10%Zn-QDs exhibited the highest fluorescence quantum yield and lowest molecular toxicity. The formations of pure QDs and 10%Zn-QDs with BSA corona are majorly driven by different forces with different patterns. The regulation of BSA on the cytotoxicity differences of pure QDs and 10%Zn-QDs was similar with fetal bovine serum, proving the significant contribution of BSA to the cytotoxicity of Cd-QDs PC. Compared with pure QDs PC, the higher cytotoxicity and oxidative stress level of 10%Zn-QDs PC were correlated with higher intracellular [Cd 2+ ]. Both larger amount of BSA adsorption and higher level of intracellular reactive oxygen species could accelerate the dissolution rates of 10%Zn-QDs and thus result in higher intracellular [Cd 2+ ].
研究领域:
纳米技术
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毒理学
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生物化学
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细胞生物学
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DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2022
·Vol. 414
·期 5
·1881-1890
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IF 4.478
Wu Yike,Liu Yuanyuan,Shang Zhengjun,Liu Xin,Xu Yong,Liu Wenlan
Aberrant protein N-glycosylation is one of the hallmarks of malignancy, while its role in oral cancer (OC) progression is still poorly understood making it a perfect biomarker for early-stage cancer. In this work, we describe a MALDI-MS-based N-glycomic analysis with multivariate data analysis approach for exploration and classification of the patients with OC. Various statistical analyses were used to determine differential N-glycome profiles. There were 8 glycan structures significantly increased ( p < 0.05) in all OC-derived microvesicles (MVs). Importantly, the increases in these glycans were significantly greater in the early stage of OC than those in the advanced stage of OC. Additionally, N-glycomic profiles from the serum were also performed, demonstrating a significant change of 11 glycan structures ( p < 0.05). Our data highlighted the effectiveness approach of MALDI-MS-based MV N-glycomic profiling on OC screening, and presented strong potential for further identifying targeted glycoproteomics signatures of the cancer.
研究领域:
生物化学
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肿瘤学
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分子生物学
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DOI
PubMed
高影响因子
Analytical Methods
·
2025
·
IF 2.6
Haifang Liu,Huayu Han,Leyang Shi,Yong Long,Wenfen Zhang,Yun Chen,Zheng Zhou,Jianbo Liu
Copper plays essential role in human life, as it participates in several physiological processes, such as antioxidant defense, keeping blood vessels integrity, and neurotransmitter synthesis. In the nervous system in particular, copper is essential for neuronal function. Research has shown that alterations in copper levels, either excess or deficiency, may cause neurodegeneration, such as Alzheimer’s disease, Parkinson’s disease, Wilson’s disease, and others. Thus, careful tracking of the levels of copper in serum is important for preventing neurodegeneration. This study reports a new CD-based fluorescence turn-on copper (II) probe with exceptional selectivity, high sensitivity, and considerable enhancement of emission intensity. As a result of these attractive sensing properties, copper ion in serum of patients with neurodegenerative diseases were monitored.
研究领域:
神经生物学
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生物无机化学
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生物传感
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转化医学
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临床诊断
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产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）