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沙丁胺醇与人血清白蛋白相互作用的多光谱及分子对接研究。

Investigation of the Interaction Mechanism between Salbutamol and Human Serum Albumin by Multispectroscopic and Molecular Docking.

机构信息

Department of Clinical Pharmacy, Weifang People's Hospital, Weifang 261041, China.

School of Chemical Science and Engineering, Tongji University, Shanghai 200092, China.

出版信息

Biomed Res Int. 2020 Feb 10;2020:1693602. doi: 10.1155/2020/1693602. eCollection 2020.

DOI:10.1155/2020/1693602
PMID:32104676
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7035540/
Abstract

Salbutamol (SBAL), a kind of short-acting beta 2-adrenergic agonist, has been mainly used to treat bronchial asthma and other allergic airway diseases clinically. In this study, the interaction mechanism between salbutamol and human serum albumin was researched by the multispectral method and molecular docking. The fluorescence intensity of HSA could be regularly enhanced with the increase of SBAL concentration. Both the results of the multispectral method and molecular docking showed that SBAL could bind HSA with van der Waals force and hydrogen bonds. The binding mechanism was further analysed by UV-Vis and synchronous fluorescence spectra. The contents of the secondary structure of free HSA and SBAL-HSA complex were evaluated using CD spectra.

摘要

沙丁胺醇（SBAL）是一种短效β2-肾上腺素能激动剂，主要用于临床治疗支气管哮喘和其他过敏性气道疾病。本研究采用多光谱法和分子对接法研究了沙丁胺醇与人血清白蛋白的相互作用机制。随着 SBAL 浓度的增加，HSA 的荧光强度可以得到规律增强。多光谱法和分子对接的结果均表明，SBAL 可以通过范德华力和氢键与 HSA 结合。通过紫外-可见和同步荧光光谱进一步分析了结合机制。利用 CD 光谱评估了游离 HSA 和 SBAL-HSA 复合物的二级结构含量。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d1e/7035540/2f9d37e64da3/BMRI2020-1693602.007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d1e/7035540/814ae943d841/BMRI2020-1693602.001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d1e/7035540/fa483eef21c7/BMRI2020-1693602.005.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d1e/7035540/2f9d37e64da3/BMRI2020-1693602.007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d1e/7035540/814ae943d841/BMRI2020-1693602.001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d1e/7035540/387a6938272d/BMRI2020-1693602.002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d1e/7035540/d65a44c9a7d6/BMRI2020-1693602.003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d1e/7035540/d1eec509f1f1/BMRI2020-1693602.004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d1e/7035540/fa483eef21c7/BMRI2020-1693602.005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d1e/7035540/325df16a0471/BMRI2020-1693602.006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1d1e/7035540/2f9d37e64da3/BMRI2020-1693602.007.jpg

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