BIOORGANIC & MEDICINAL CHEMISTRY
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2024
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IF 3.3
Xu Han,Xiaqing Wu,Fanglin Liu,Huan Chen,Hongwei Hou
Inflammation is the physiological response of the immune system to injury or infection, typically manifested by local tissue congestion, swelling, heat, and pain. Prolonged or excessive inflammation can lead to tissue damage and the development of many diseases. The anti-inflammatory effects of natural ingredients have been extensively researched and confirmed. This study investigated the effects of Chlorogenic acid (CGA) isomers —— 3-Caffeolyquninic acid (3-CQA), 4-Caffeolyquninic acid (4-CQA), and 5-Caffeolyquninic acid (5-CQA) —— on the inflammatory response and oxidative stress reaction induced by LPS in RAW264.7 cells. Overall, 3-CQA exhibited the most significant reduction in levels of TNF-α, IL-6, NO, and ROS. 4-CQA showed superior inhibition of TNF-α compared to 5-CQA (p < 0.05), while no significant difference in other parameters. We further used DARTS and CETSA to demonstrate that CGA isomers have stable affinity with AKR1B1. As a positive control, the AKR1B1 antagonist epalrestat exhibited similar effects to the CGA isomers. 3-CQA having the smallest half-inhibitory concentration (IC50) for AKR1B1, while 4-CQA and 5-CQA have similar values. AutoDock simulations of the docking conformations revealed minimal differences in the average binding energies of the CGA isomers. The main differences were that VAL47 formed a hydrogen bond with 3-CQA, whereas GLN49 formed hydrogen bonds with 4-CQA and 5-CQA. Additionally, the number of hydrophobic bonds involving PHE122 and LEU300 varies. Our conclusion is that differences in non-covalent interactions result in the varying inhibitory abilities of CGA isomers on AKR1B1, which further affect the anti-inflammatory and antioxidant effects of CGA isomers.
研究领域:
药理学
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免疫学
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分子生物学
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细胞生物学
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DOI
PubMed
高影响因子
Food Biophysics
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2022
·Vol. 17
·期 4
·586-597
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IF 3.34
He Wen-Jing,Chen Nan,Yu Zhi-Long,Sun Qun,He Qiang,Zeng Wei-Cai
Effect of catechins with different structure complexity on the properties of glutenins was investigated, and its action mechanism and potential application were further explored. Four catechins, including epicatechin (EC), epigallocaetchin (EGC), epicatechin-3-gallate (ECG) and epigallocatechin-3-gallate (EGCG), could cause glutenins aggregation, further changed the spatial structures and thermal stability of glutenins, and the action sequence of catechins was as: EGCG > ECG > EGC > EC. Meanwhile, all catechins might not interrupt the covalent bonds of glutenins including peptide bonds and disulfide bonds. By molecular docking analysis, hydrogen and hydrophobic bonds were the main molecular interactions between catechins and glutenins, and the binding strength of catechins on glutenins could be ranked as: EGCG > ECG > EGC > EC. Results indicated that esterified catechins (EGCG and ECG) had stronger binding effects on glutenins than non-esterified catechins (EGC and EC). Furthermore, catechins in tea polyphenols could interact with glutenins in wheat flour, and improved the quality of bread including structure, specific volume, texture and color. All present results suggested that the gallic acyl group and hydroxyl group in catechins could promote the interaction of catechins with glutenins, and catechins could significantly affect the spatial structure and physicochemical properties of glutenins. So, catechins showed the potential for improving the properties of glutenins in chemical and food industries. Graphical Abstract
研究领域:
食品科学
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化学
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生物分子相互作用
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DOI
高影响因子
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY
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2016
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IF 3.035
Hang Yang,Guangying Hou,Li Zhang,Lei Ju,Chunguang Liu
Sewage sludge , as a very significant sources of BPS (up to 523 mg/kg dw) introduction into the environment, must be handled properly. Therefore, it is important to access BPS removal and its effect on sludge treatment with the biological treatment. However, it is unclear for its effect on the hydrolysis of sludge. In this research, impact of BPS on sludge hydrolysis by α-Amylase is studied from the respect of component of soluble organic matter in sludge using three-dimensional fluorescence spectra . Enzyme activity assay suggests that sludge hydrolysis is inhibited due to the denaturation of α-Amylase with BPS exposure. In order to illuminate the interaction mechanism between BPS and α-Amylase, UV–vis, steady-state fluorescence, circular dichroism , synchronous fluorescence, light scattering spectra, enzyme activity assay and molecule docking techniques are applied. Results show that BPS interacts with α-Amylase by hydrophobic bond in the activity region of α-Amylase. This interaction not only causes an unfolding skeleton structure of α-Amylase and a less hydrophobic microenvironment of tyrosine and tryptophan residues, but also leads to a specific fluorophore quenching involving static and dynamic type. This work provides direct evidence about enzyme toxicity of BPS and establishes a new strategy to investigate the interaction between protein and BPS at a molecular level, which is helpful for clarifying the bioactivities of BPS.
研究领域:
环境科学
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生物化学
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废水处理
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DOI
PubMed
高影响因子
ENVIRONMENTAL SCIENCE & TECHNOLOGY
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2024
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IF 10.8
Xueyao Chen,Yaoming Ge,Wei Shi,Mengting Yang,Qing Zhou,Yang Pan
Drinking water halogenated disinfection byproducts (DBPs) have become an increasing health concern. However, the endocrine-disrupting effects of DBPs have not been well evaluated, and the limited available data have inhibited a comprehensive understanding of their health risks. In this study, a total of 43 DBPs were evaluated for their estro-androgenic effects using two types of human breast cancer cells. Among the tested DBPs, 16 exhibited estrogenic/antiestrogenic/androgenic/antiandrogenic effects, and the effects could be observed even at concentrations typically detected in drinking water. Iodinated and polyhalogenated DBPs generally showed higher effects than other species. For a broader comparison, DBP endocrine-disrupting effect data from this study and previous studies were summarized. It was found that the endocrine disruption efficacy of DBPs followed the rank order of iodinated > brominated > chlorinated species, and halophenolic DBPs were potential endocrine-disrupting compounds. Moreover, molecular docking results demonstrated that the binding of DBPs to estro-androgenic receptors was dominated by hydrophobic bonding, hydrogen bonding, halogen bonding, and van der Waals forces. The force strength and molecular volume were related to the magnitude of the estro-androgenic effects. Iodinated DBPs and polyhalogenated DBPs tended to have larger binding forces than other analogues and thus exhibited stronger effects.
研究领域:
环境科学
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毒理学
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公共卫生
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分子生物学
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化学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2020
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IF 6.306
Ting Li,Li Wang,Zhengxing Chen,Xinxia Zhang,Ziying Zhu
This study investigated the functional properties and structural changes associated with the complexation of rice protein (RP) with anthocyanins (ACN). Furthermore, fractions (i.e., albumin, globulin, prolamin and glutelin) isolated from RP complexed with anthocyanins were examined. The interactions with ACN altered the structure of RP, leading to an increase in the β-sheet and spectral shift of the amide Ⅱ band. Additionally, fluorescence spectroscopy suggested that the hydrophobic and hydrogen bonds were the dominant forces in the formation of RP-ACN complexes. It was interesting to find that the RP-ACN particles exhibited the best functional properties at pH 3, likely due to the specific conformational changes upon interaction. In addition, the combination of RP and ACN increased the antioxidant ability of RP. Overall, this research suggested that RP-ACN particles at pH 3 can be designed to form and stabilize mesostructures such as foams and emulsion, which can lead to health benefits.
研究领域:
食品科学
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营养学
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生物化学
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化学
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产品关联
DOI
PubMed
高影响因子
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