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BSA-LT4 复合物构象变化的研究：光谱法和分子对接法。

Conformational Changes in the BSA-LT4 Complex Induced by the Presence of Vitamins: Spectroscopic Approach and Molecular Docking.

机构信息

Department of Electricity, Solid Physics and Biophysics, Faculty of Physics, University of Bucharest, Str. Atomistilor No. 405, CP MG-11, Bucuresti-Magurele, 077125 Magurele, Romania.

Department of Fundamental, Prophylactic and Clinical Disciplines, Faculty of Medicine, Transilvania University of Brasov, Str. Universitatii No. 1, Building C, Room CI30, 500068 Brasov, Romania.

出版信息

Int J Mol Sci. 2022 Apr 11;23(8):4215. doi: 10.3390/ijms23084215.

DOI:10.3390/ijms23084215
PMID:35457032
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9027512/
Abstract

Levothyroxine (LT4) is known for its use in various conditions including hypothyroidism. LT4 interaction with serum albumin may be influenced by the presence of vitamins. For this reason, we investigated the effect of vitamin C, vitamin B12, and folic acid on the complex of Bovine Serum Albumin with LT4 (BSA-LT4). UV-Vis spectroscopy was used to monitor the influence of vitamins on the BSA-LT4 complex. Fluorescence spectroscopy revealed a static quenching mechanism of the fluorescence of BSA-LT4 complex by the vitamin C and folic acid and a combined mechanism for vitamin B12. The interaction of vitamin C and folic acid with BSA-LT4 was moderate, while the binding of vitamin B12 was much stronger, extending the storage time of LT4 in blood plasma. Synchronous fluorescence found that the vitamins were closer to the vicinity of Trp than to Tyr and the effect was more pronounced for the binding of vitamin B12. The thermal stability of the BSA-LT4 complex was more evident, but no influence on the stability of BSA-LT4 complex was obtained for vitamin C. Molecular docking studies showed that vitamin C and folic acid bound the same site of the protein, while vitamin B12 bonded to a different site.

摘要

左甲状腺素（LT4）常用于治疗甲状腺功能减退症等多种疾病。其与血清白蛋白的相互作用可能受到维生素的影响。因此，我们研究了维生素 C、维生素 B12 和叶酸对牛血清白蛋白与 LT4 复合物（BSA-LT4）的影响。紫外-可见光谱用于监测维生素对 BSA-LT4 复合物的影响。荧光光谱表明，维生素 C 和叶酸通过静态猝灭机制使 BSA-LT4 复合物的荧光猝灭，而维生素 B12 则通过协同机制起作用。维生素 C 和叶酸与 BSA-LT4 的相互作用为中等强度，而维生素 B12 的结合强度更强，这延长了 LT4 在血浆中的储存时间。同步荧光发现，维生素更接近色氨酸而不是酪氨酸，维生素 B12 的结合作用更为明显。BSA-LT4 复合物的热稳定性更为明显，但维生素 C 对 BSA-LT4 复合物的稳定性没有影响。分子对接研究表明，维生素 C 和叶酸结合在蛋白质的相同部位，而维生素 B12 则结合在不同的部位。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/aebba8c581fb/ijms-23-04215-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/ae5bb80bf2cc/ijms-23-04215-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/7540f12ea25d/ijms-23-04215-g001a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/cb95224091f7/ijms-23-04215-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/a99930ccb276/ijms-23-04215-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/93d6af62d56e/ijms-23-04215-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/3b294a01975a/ijms-23-04215-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/792ed6d1b3a3/ijms-23-04215-g006a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/1fea82aa4926/ijms-23-04215-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/aebba8c581fb/ijms-23-04215-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/ae5bb80bf2cc/ijms-23-04215-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/7540f12ea25d/ijms-23-04215-g001a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/cb95224091f7/ijms-23-04215-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/a99930ccb276/ijms-23-04215-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/93d6af62d56e/ijms-23-04215-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/3b294a01975a/ijms-23-04215-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/792ed6d1b3a3/ijms-23-04215-g006a.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/1fea82aa4926/ijms-23-04215-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a46/9027512/aebba8c581fb/ijms-23-04215-g008.jpg

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