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Identification of High Affinity Fatty Acid Binding Sites on Human Serum Albumin by MM-PBSA Method
https://repository.lib.tottori-u.ac.jp/records/7111
https://repository.lib.tottori-u.ac.jp/records/71112bd5e072-ee64-488d-908e-853e4bf66df5
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
bj94(1)_95.pdf (746.5 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 | Identification of High Affinity Fatty Acid Binding Sites on Human Serum Albumin by MM-PBSA Method | |||||
| 言語 | en | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| 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 | Human serum albumin (HSA) has seven common fatty acid (FA) binding sites. In this study, we used the molecular mechanics Poisson-Boltzmann surface area method to identify high affinity FA binding sites on HSA in terms of binding free energy. Using multiple HSA-FA (myristate, palmitate) complex models constructed by molecular dynamics simulations, two methods were performed in molecular mechanics Poisson-Boltzmann surface area, the “three-trajectory method” and the “single-trajectory method”. The former, which is less precise than the latter but may be more accurate as it includes the effects of conformational change upon binding, was used to classify high and low affinity sites. As a result, Sites 2, 4, and 5 were identified as high affinity sites for both FAs. The latter method, which is precise because energies are calculated from snapshots of the same trajectory for HSA-FAcomplex, was performed to compare the magnitude of binding free energy for these sites. The order of magnitude was 5 > 4 > 2, identical to that of a previous publication by others. In this way, a combination of the two methods was effectively used to identify high affinity sites. This study therefore provides an insight into the quantitative identification of high affinity FA binding sites on HSA. | |||||
| 書誌情報 |
Biophysical journal en : Biophysical journal 巻 94, 号 1, p. 95-103, 発行日 2008-01 |
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| 出版者 | ||||||
| 出版者 | Elsevier Inc. | |||||
| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 00063495 | |||||
| 書誌レコードID | ||||||
| 収録物識別子タイプ | NCID | |||||
| 収録物識別子 | AA00566095 | |||||
| DOI | ||||||
| 関連タイプ | isVersionOf | |||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.1529/biophysj.107.111377 | |||||
| 権利 | ||||||
| 権利情報 | Copyright © 2008 The Biophysical Society. Published by Elsevier Inc. 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.. Identification of High Affinity Fatty Acid Binding Sites on Human Serum Albumin by MM-PBSA Method. Biophysical journal. 2008, 94(1), 95-103 | |||||
| 関連サイト | ||||||
| 識別子タイプ | URI | |||||
| 関連識別子 | https://www.sciencedirect.com/science/article/pii/S0006349508707689 | |||||
| 関連名称 | https://www.sciencedirect.com/science/article/pii/S0006349508707689 | |||||
| 著者版フラグ | ||||||
| 出版タイプ | AM | |||||
