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Fatty acid binding to serum albumin: Molecular simulation approaches
https://repository.lib.tottori-u.ac.jp/records/7109
https://repository.lib.tottori-u.ac.jp/records/710961eff8e5-4fbf-44c2-a6ef-6c7ee5489e3f
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
bba1830(12)_5427.pdf (955.7 kB)
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| Item type | 学術雑誌論文 / Journal Article(1) | |||||
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| 公開日 | 2019-09-19 | |||||
| タイトル | ||||||
| タイトル | Fatty acid binding to serum albumin: Molecular simulation approaches | |||||
| 言語 | en | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| キーワード | ||||||
| 主題 | Human serum albumin | |||||
| キーワード | ||||||
| 主題 | Fatty acid | |||||
| キーワード | ||||||
| 主題 | Simulation | |||||
| キーワード | ||||||
| 主題 | Molecular dynamics | |||||
| キーワード | ||||||
| 主題 | Free energy | |||||
| キーワード | ||||||
| 主題 | Docking | |||||
| キーワード | ||||||
| 言語 | en | |||||
| 主題 | Human serum albumin | |||||
| キーワード | ||||||
| 言語 | en | |||||
| 主題 | Fatty acid | |||||
| キーワード | ||||||
| 言語 | en | |||||
| 主題 | Simulation | |||||
| キーワード | ||||||
| 言語 | en | |||||
| 主題 | Molecular dynamics | |||||
| キーワード | ||||||
| 言語 | en | |||||
| 主題 | Free energy | |||||
| キーワード | ||||||
| 言語 | en | |||||
| 主題 | Docking | |||||
| 資源タイプ | ||||||
| 資源タイプ | journal article | |||||
| 著者 |
Fujiwara, Shin-ichi
× Fujiwara, Shin-ichi× Amisaki, Takashi |
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| 著者所属（英） | ||||||
| 言語 | en | |||||
| 値 | Department of Biological Regulation, Faculty of Medicine, Tottori University | |||||
| 著者所属（英） | ||||||
| 言語 | en | |||||
| 値 | Department of Biological Regulation, Faculty of Medicine, Tottori University | |||||
| 抄録 | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | Background: Binding affinity for human serum albumin (HSA) is one of the most important factors affecting the distribution and free blood concentration of many ligands. The effect of fatty acids (FAs) on HSA-ligand binding has long been studied. Since the elucidation of the 3-dimensional structure of HSA, molecular simulation approaches have been applied to studies of the structure-function relationship of HSA-FA binding. Scope of review: We review current insights into the effects of FA binding on HSA, focusing on the biophysical insights obtained using molecular simulation approaches such as docking, molecular dynamics (MD), and binding free energy calculations. Major conclusions: Possible conformational changes on binding of FA molecules to HSA have been observed through MD simulations. High- and low-affinity FA-binding sites on HSA have been identified based on binding free energy calculations. The relationship between the warfarin binding affinity of HSA and FA molecules has been clarified based on the results of simulations of multi-site FA binding that cannot be experimentally observed. General significance: Molecular simulation approaches have great potentials to provide detailed biophysical insights into HSA as well as the effects of the binding of FAs or other ligands to HSA. This article is part of a Special Issue entitled Serum Albumin. | |||||
| 書誌情報 |
Biochimica et biophysica acta. General subjects : BBA en : Biochimica et biophysica acta. General subjects : BBA 巻 1830, 号 12, p. 5427-5434, 発行日 2013-12 |
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| 出版者 | ||||||
| 出版者 | Elsevier B.V. | |||||
| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 03044165 | |||||
| 書誌レコードID | ||||||
| 収録物識別子タイプ | NCID | |||||
| 収録物識別子 | AA11522932 | |||||
| DOI | ||||||
| 関連タイプ | isVersionOf | |||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1016/j.bbagen.2013.03.032 | |||||
| 権利 | ||||||
| 権利情報 | Copyright © 2013 Elsevier B.V. All rights reserved. This manuscript version is made available under the CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/ | |||||
| 情報源 | ||||||
| 関連名称 | Shin-ichi Fujiwara, Takashi Amisaki.. Fatty acid binding to serum albumin: Molecular simulation approaches. Biochimica et biophysica acta. General subjects : BBA. 2013, 1830(12), 5427-5434 | |||||
| 関連サイト | ||||||
| 識別子タイプ | URI | |||||
| 関連識別子 | https://www.sciencedirect.com/science/article/pii/S0304416513001268 | |||||
| 関連名称 | https://www.sciencedirect.com/science/article/pii/S0304416513001268 | |||||
| 著者版フラグ | ||||||
| 出版タイプ | AM | |||||
