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Computational and spectroscopic analysis of interaction between food colorant citrus red 2 and human serum albumin
The main aim of this work was to gain insight into the binding properties between a food colorant, citrus red 2 (CR), and human serum albumin (HSA), which is the predominant protein in blood plasma. Here, computer simulations and multiple spectroscopies were applied to predict and characterize the i...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6367341/ https://www.ncbi.nlm.nih.gov/pubmed/30733529 http://dx.doi.org/10.1038/s41598-018-38240-9 |
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author | Wu, Di Wang, Jinqiu Liu, Dayu Zhang, Yin Hu, Xia |
author_facet | Wu, Di Wang, Jinqiu Liu, Dayu Zhang, Yin Hu, Xia |
author_sort | Wu, Di |
collection | PubMed |
description | The main aim of this work was to gain insight into the binding properties between a food colorant, citrus red 2 (CR), and human serum albumin (HSA), which is the predominant protein in blood plasma. Here, computer simulations and multiple spectroscopies were applied to predict and characterize the interaction between CR and HSA. Docking and molecular dynamics presented a stable binding configuration with low fluctuations. Fluorescence spectroscopy and lifetime results suggested that the CR–HSA combination undergoes static quenching mechanism with binding constant of 10(5) L/mol. Displacement analysis showed the binding of CR at site I of HSA, which agrees with the docking results. The binding process occured spontaneously and was mainly driven by electrostatic interactions. Synchronous fluorescence and circular dichroism measurements demonstrate the changes in the microenvironment residues and α-helix contents of HSA induced by CR. The computational and experimental techniques are complementary to clearly understand the food colorant transportation and bioaccumulative toxicity in the human body. |
format | Online Article Text |
id | pubmed-6367341 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-63673412019-02-11 Computational and spectroscopic analysis of interaction between food colorant citrus red 2 and human serum albumin Wu, Di Wang, Jinqiu Liu, Dayu Zhang, Yin Hu, Xia Sci Rep Article The main aim of this work was to gain insight into the binding properties between a food colorant, citrus red 2 (CR), and human serum albumin (HSA), which is the predominant protein in blood plasma. Here, computer simulations and multiple spectroscopies were applied to predict and characterize the interaction between CR and HSA. Docking and molecular dynamics presented a stable binding configuration with low fluctuations. Fluorescence spectroscopy and lifetime results suggested that the CR–HSA combination undergoes static quenching mechanism with binding constant of 10(5) L/mol. Displacement analysis showed the binding of CR at site I of HSA, which agrees with the docking results. The binding process occured spontaneously and was mainly driven by electrostatic interactions. Synchronous fluorescence and circular dichroism measurements demonstrate the changes in the microenvironment residues and α-helix contents of HSA induced by CR. The computational and experimental techniques are complementary to clearly understand the food colorant transportation and bioaccumulative toxicity in the human body. Nature Publishing Group UK 2019-02-07 /pmc/articles/PMC6367341/ /pubmed/30733529 http://dx.doi.org/10.1038/s41598-018-38240-9 Text en © The Author(s) 2019 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
spellingShingle | Article Wu, Di Wang, Jinqiu Liu, Dayu Zhang, Yin Hu, Xia Computational and spectroscopic analysis of interaction between food colorant citrus red 2 and human serum albumin |
title | Computational and spectroscopic analysis of interaction between food colorant citrus red 2 and human serum albumin |
title_full | Computational and spectroscopic analysis of interaction between food colorant citrus red 2 and human serum albumin |
title_fullStr | Computational and spectroscopic analysis of interaction between food colorant citrus red 2 and human serum albumin |
title_full_unstemmed | Computational and spectroscopic analysis of interaction between food colorant citrus red 2 and human serum albumin |
title_short | Computational and spectroscopic analysis of interaction between food colorant citrus red 2 and human serum albumin |
title_sort | computational and spectroscopic analysis of interaction between food colorant citrus red 2 and human serum albumin |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6367341/ https://www.ncbi.nlm.nih.gov/pubmed/30733529 http://dx.doi.org/10.1038/s41598-018-38240-9 |
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